⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1876097 | 0.81 | BACE1 (0.31) | — | |
| SCHEMBL1085871 | 0.81 | MAPT (0.33) | — | |
| SCHEMBL2142592 | 0.80 | — | — | |
| SCHEMBL9163997 | 0.79 | BACE1 (0.30) | — | |
| SCHEMBL2163046 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL7748956 | 0.78 | — | — | |
| SCHEMBL22033623 | 0.77 | — | — | |
| SCHEMBL2904267 | 0.77 | BTN3A1 (0.31) | — | |
| SCHEMBL8451321 | 0.77 | — | — | |
| SCHEMBL2720155 | 0.77 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0776322-B1 | METHOD FOR THE PREPARATION OF TAXOL AND ITS DERIVATIVES | PHARMACIA & UPJOHN SPA (IT) | 2001-11-07 | — | — | 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 |
| US-5767282-A | Method for the preparation of taxol and its derivatives | PHARMACIA & UPJOHN S.P.A. (IT) | 1998-06-16 | — | — | US | 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 |