| CL2A (lysine-cleavable linker)Linker | Linker | Camptothecin / exatecan core | 6%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | conjugated_with: Trastuzumab deruxtecan (Enhertu) · similar_to: Camptothecin / exatecan core · derived_from: Camptothecin / exatecan core | linker |
| Camptothecin / exatecan coreAbstract pharmacophore | Scaffold | — | — | derived_from: Exatecan · derived_from: DXd (deruxtecan payload) · derived_from: SN-38 (irinotecan active) · similar_to: SN-38 (irinotecan active) · similar_to: Dato-DXd (TROP2, alt node) · similar_to: GGFG (cleavable linker) · similar_to: Exatecan · similar_to: Datopotamab deruxtecan (Datroway) · similar_to: Patritumab deruxtecan (HER3-DXd) · similar_to: DXd membrane-permeability SAR analog · similar_to: DXd hydroxy analog · similar_to: CL2A (lysine-cleavable linker) · similar_to: DXd (deruxtecan payload) · similar_to: Trastuzumab deruxtecan (Enhertu) · derived_from: GGFG (cleavable linker) · derived_from: CL2A (lysine-cleavable linker) | TOP1, camptothecin, core |
| DXd (deruxtecan payload)Payload | Payload | Camptothecin / exatecan core | 51%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | derived_from: Camptothecin / exatecan core · derived_from: DXd hydroxy analog · derived_from: Trastuzumab deruxtecan (Enhertu) · similar_to: Exatecan · similar_to: DXd hydroxy analog · derived_from: Datopotamab deruxtecan (Datroway) · derived_from: DXd membrane-permeability SAR analog · derived_from: Patritumab deruxtecan (HER3-DXd) · similar_to: Datopotamab deruxtecan (Datroway) · similar_to: DXd membrane-permeability SAR analog · similar_to: Dato-DXd (TROP2, alt node) · similar_to: Patritumab deruxtecan (HER3-DXd) · similar_to: Camptothecin / exatecan core · similar_to: Trastuzumab deruxtecan (Enhertu) | ADC, approved, payload, Enhertu |
| DXd hydroxy analogExploratory analog (rule-generated) | Derivative | DXd (deruxtecan payload) | 62%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | derived_from: DXd (deruxtecan payload) · similar_to: DXd (deruxtecan payload) · similar_to: DXd membrane-permeability SAR analog · similar_to: Datopotamab deruxtecan (Datroway) · similar_to: Exatecan · similar_to: Camptothecin / exatecan core · similar_to: Dato-DXd (TROP2, alt node) · similar_to: Trastuzumab deruxtecan (Enhertu) · similar_to: Patritumab deruxtecan (HER3-DXd) | derivative, metabolite |
| DXd membrane-permeability SAR analogExploratory analog (rule-generated) | Derivative | DXd (deruxtecan payload) | 61%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | derived_from: DXd (deruxtecan payload) · derived_from: Dato-DXd (TROP2, alt node) · similar_to: Dato-DXd (TROP2, alt node) · similar_to: DXd (deruxtecan payload) · similar_to: Datopotamab deruxtecan (Datroway) · similar_to: DXd hydroxy analog · similar_to: Patritumab deruxtecan (HER3-DXd) · similar_to: Exatecan · similar_to: Camptothecin / exatecan core · similar_to: Trastuzumab deruxtecan (Enhertu) | SAR, bystander |
| Dato-DXd (TROP2, alt node)ADC | ADC | DXd membrane-permeability SAR analog | 56%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | derived_from: DXd membrane-permeability SAR analog · similar_to: DXd membrane-permeability SAR analog · similar_to: Camptothecin / exatecan core · similar_to: Datopotamab deruxtecan (Datroway) · similar_to: DXd (deruxtecan payload) · similar_to: Exatecan · similar_to: DXd hydroxy analog · similar_to: Patritumab deruxtecan (HER3-DXd) · similar_to: Trastuzumab deruxtecan (Enhertu) | ADC, TROP2 |
| Datopotamab deruxtecan (Datroway)ADC | ADC | DXd (deruxtecan payload) | 57%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | derived_from: DXd (deruxtecan payload) · similar_to: Trastuzumab deruxtecan (Enhertu) · related_drug: Trastuzumab deruxtecan (Enhertu) · conjugated_with: GGFG (cleavable linker) · similar_to: DXd (deruxtecan payload) · similar_to: Dato-DXd (TROP2, alt node) · similar_to: DXd membrane-permeability SAR analog · similar_to: Exatecan · similar_to: Camptothecin / exatecan core · similar_to: DXd hydroxy analog · similar_to: Patritumab deruxtecan (HER3-DXd) | ADC, approved, TROP2 |
| ExatecanExploratory analog | Drug | Camptothecin / exatecan core | 67%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | derived_from: Camptothecin / exatecan core · similar_to: DXd (deruxtecan payload) · related_drug: SN-38 (irinotecan active) · similar_to: Camptothecin / exatecan core · similar_to: Datopotamab deruxtecan (Datroway) · similar_to: DXd hydroxy analog · similar_to: Patritumab deruxtecan (HER3-DXd) · similar_to: DXd membrane-permeability SAR analog · similar_to: Trastuzumab deruxtecan (Enhertu) · similar_to: Dato-DXd (TROP2, alt node) | TOP1, payload precursor |
| GGFG (cleavable linker)Linker | Linker | Camptothecin / exatecan core | 13%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | conjugated_with: Patritumab deruxtecan (HER3-DXd) · conjugated_with: Datopotamab deruxtecan (Datroway) · conjugated_with: Trastuzumab deruxtecan (Enhertu) · similar_to: Camptothecin / exatecan core · derived_from: Camptothecin / exatecan core | linker, cleavable |
| Patritumab deruxtecan (HER3-DXd)ADC | ADC | DXd (deruxtecan payload) | 56%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | derived_from: DXd (deruxtecan payload) · related_drug: Trastuzumab deruxtecan (Enhertu) · conjugated_with: GGFG (cleavable linker) · similar_to: DXd (deruxtecan payload) · similar_to: DXd membrane-permeability SAR analog · similar_to: Camptothecin / exatecan core · similar_to: Exatecan · similar_to: Datopotamab deruxtecan (Datroway) · similar_to: Trastuzumab deruxtecan (Enhertu) · similar_to: DXd hydroxy analog · similar_to: Dato-DXd (TROP2, alt node) | ADC, clinical, HER3 |
| SN-38 (irinotecan active)Exploratory analog | Drug | Camptothecin / exatecan core | 13%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | derived_from: Camptothecin / exatecan core · related_drug: Exatecan · similar_to: Camptothecin / exatecan core | TOP1, small molecule |
| Trastuzumab deruxtecan (Enhertu)ADC | ADC | DXd (deruxtecan payload) | 51%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | derived_from: DXd (deruxtecan payload) · conjugated_with: CL2A (lysine-cleavable linker) · related_drug: Patritumab deruxtecan (HER3-DXd) · similar_to: Datopotamab deruxtecan (Datroway) · related_drug: Datopotamab deruxtecan (Datroway) · conjugated_with: GGFG (cleavable linker) · similar_to: DXd membrane-permeability SAR analog · similar_to: Exatecan · similar_to: Patritumab deruxtecan (HER3-DXd) · similar_to: DXd hydroxy analog · similar_to: Camptothecin / exatecan core · similar_to: DXd (deruxtecan payload) · similar_to: Dato-DXd (TROP2, alt node) | ADC, approved, HER2 |