⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10529437 | 0.78 | TDP1 (0.32) | — | |
| SCHEMBL11765729 | 0.74 | — | — | |
| SCHEMBL3024381 | 0.74 | — | — | |
| SCHEMBL3037082 | 0.73 | — | — | |
| SCHEMBL11426655 | 0.72 | — | — | |
| SCHEMBL18925530 | 0.71 | — | — | |
| SCHEMBL8718517 | 0.71 | MAPK1 (0.45) | — | |
| SCHEMBL28286733 | 0.70 | — | — | |
| SCHEMBL3038690 | 0.70 | — | — | |
| SCHEMBL16925591 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030013889-A1 | Process for the preparation of taxane derivatives | AVENTIS PHARMA S.A. | 2003-01-16 | — | — | US | disclosed |
| US-6433180-B1 | CHEMICAL INTERMEDIATE FOR TAXOL | AVENTIS PHARMA S.A. (FR) | 2002-08-13 | — | — | US | disclosed |
| US-5686623-A | Method for preparing taxane derivatives | RHONE-POULENC RORER, S.A. (FR) | 1997-11-11 | — | — | US | disclosed |