⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1412080 | 0.89 | HPGD (0.52) | — | |
| SCHEMBL10588209 | 0.89 | — | — | |
| SCHEMBL7028763 | 0.87 | HPGD (0.55) | — | |
| SCHEMBL10586022 | 0.87 | HPGD (0.55) | — | |
| SCHEMBL10586034 | 0.87 | HPGD (0.55) | — | |
| SCHEMBL10587786 | 0.83 | — | — | |
| SCHEMBL7401679 | 0.79 | HPGD (0.41) | — | |
| SCHEMBL8920891 | 0.77 | KDM5A (0.47) | — | |
| SCHEMBL301024 | 0.77 | — | — | |
| SCHEMBL672141 | 0.77 | KDM5A (0.47) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0712854-B1 | Baccatin derivatives and processes for preparing the same | TANABE SEIYAKU CO (JP) | 1998-07-01 | — | — | EP | disclosed |
| US-5608073-A | TAXANE INTERMEDIATES | TANABE SEIYAKU CO., LTD. (JP) | 1997-03-04 | — | — | US | disclosed |
| US-5589502-A | ANTITUMOR | TANABE SEIYAKU CO., LTD. (JP) | 1996-12-31 | — | — | US | disclosed |
| CN-1129217-A | Baccatin derivatives and processes for the preparing the same | TANABE SEIYAKU CO (JP) | 1996-08-21 | — | — | CN | disclosed |
| EP-0712854-A1 | Baccatin derivatives and processes for preparing the same | TANABE SEIYAKU CO., LTD. (JP) | 1996-05-22 | — | — | EP | disclosed |
| EP-0319316-A2 | Griseolic acid monoesters, their preparation and use | SANKYO COMPANY LIMITED (JP) | 1989-06-07 | — | — | EP | disclosed |
| US-4243664-A | 17,21-DIACYLOXY-11-FLUORO-1,4,8-PREGNATRIENE-3,20-DIONES, ANTIINFLAMMATORY AGENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1981-01-06 | — | — | US | disclosed |
| US-4176126-A | ANTIINFLAMMATORY AGENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1979-11-27 | — | — | US | disclosed |
| US-3936462-A | CNS DEPRESSANT, ANALGESIC | STERLING DRUG INC. (US) | 1976-02-03 | — | — | US | disclosed |