⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1304633 | 0.83 | CYP3A4 (0.40) | — | |
| SCHEMBL3001866 | 0.82 | ESR1 (0.38) | — | |
| SCHEMBL3007177 | 0.82 | — | — | |
| SCHEMBL2998015 | 0.77 | — | — | |
| SCHEMBL2998095 | 0.77 | — | — | |
| SCHEMBL2999725 | 0.77 | — | — | |
| SCHEMBL3003757 | 0.76 | — | — | |
| SCHEMBL3700202 | 0.74 | CTSD (0.31) | — | |
| SCHEMBL19946522 | 0.70 | CYP3A4 (0.38) | — | |
| SCHEMBL35092 | 0.70 | CYP3A4 (0.45) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6762306-B2 | A N,O-BIS(DIPHENYLPHOSPHINO)-2-AZETIDINE DERIVATIVES, A TRANSITION METAL COMPLEX FOR USE AS HYDROGENATION CATALYSTS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-07-13 | — | — | US | disclosed |
| US-20030191324-A1 | Chiral ligand | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-10-09 | — | — | US | disclosed |
| US-20030139600-A1 | 2-pyridylsilane, processes for producing and using the same | SUMITOMO CHEMICAL CO., LTD. | 2003-07-24 | — | — | US | disclosed |
| US-20030120088-A1 | Optically active azetidincarboxamide-coordinated transition metal complexes | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-06-26 | — | — | US | disclosed |
| EP-1319660-A1 | Optically active azetidincarboxamide-coordinated transition metal complexes as catalysts in asymmetric reduction | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-06-18 | — | — | EP | disclosed |
| US-6548673-B1 | Alkylation using transition metal complex catalyst; purified by acid/base extraction | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-04-15 | — | — | US | disclosed |
| EP-1241174-A1 | Chiral ligands for asymmetric synthesis | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-09-18 | — | — | EP | disclosed |
| EP-1035125-A2 | 2-Pyridylsilane, processes for producing and using the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-09-13 | — | — | EP | disclosed |