⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7947344 | 0.70 | — | — | |
| SCHEMBL9582243 | 0.70 | CA12 (0.47) | — | |
| SCHEMBL1648009 | 0.70 | — | — | |
| SCHEMBL47359 | 0.70 | — | — | |
| SCHEMBL4601326 | 0.67 | — | — | |
| Charcoal, Activated SCHEMBL31338720 | 0.67 | — | — | |
| SCHEMBL10631843 | 0.67 | — | — | |
| SCHEMBL27538433 | 0.67 | — | — | |
| SCHEMBL27740117 | 0.67 | — | — | |
| SCHEMBL10366908 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0960107-B1 | 6-THIO-SUBSTITUTED PACLITAXELS | BRISTOL MYERS SQUIBB CO (US) | 2002-10-02 | — | — | EP | disclosed |
| EP-1116718-A2 | Method for the preparation of taxol and its derivatives | PHARMACIA & UPJOHN S.p.A. (IT) | 2001-07-18 | — | — | EP | disclosed |
| EP-0960107-A4 | — | — | 1999-12-01 | — | — | EP | disclosed |
| EP-0960107-A1 | 6-THIO-SUBSTITUTED PACLITAXELS | Bristol-Myers Squibb Company (US) | 1999-12-01 | — | — | EP | disclosed |
| US-5977386-A | ANTITUMOR | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-11-02 | — | — | US | disclosed |
| WO-1998028288-A1 | 6-THIO-SUBSTITUTED PACLITAXELS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-07-02 | — | — | WO | disclosed |
| EP-0776322-A1 | METHOD FOR THE PREPARATION OF TAXOL AND ITS DERIVATIVES | PHARMACIA & UPJOHN S.p.A. (IT) | 1997-06-04 | — | — | EP | disclosed |
| WO-1997000870-A1 | METHOD FOR THE PREPARATION OF TAXOL AND ITS DERIVATIVES | PHARMACIA & UPJOHN S.P.A. (IT) | 1997-01-09 | — | — | WO | disclosed |