⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4179750 | 0.76 | — | — | |
| SCHEMBL4176942 | 0.75 | — | — | |
| SCHEMBL4188975 | 0.74 | — | — | |
| SCHEMBL4185701 | 0.68 | — | — | |
| SCHEMBL5204925 | 0.64 | ADORA2B (0.42) | — | |
| SCHEMBL6619538 | 0.64 | ADORA2B (0.42) | — | |
| SCHEMBL6619534 | 0.64 | ADORA2B (0.42) | — | |
| SCHEMBL4182803 | 0.62 | ABHD10 (0.36) | — | |
| SCHEMBL22572723 | 0.59 | TSHR (0.32) | — | |
| SCHEMBL9314843 | 0.57 | TP53 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1423108-B1 | C-2' METHYLATED DERIVATIVES OF PACLITAXEL FOR USE AS ANTITUMOUR AGENTS | INDENA SPA (IT) | 2007-06-06 | — | — | EP | disclosed |
| EP-1423108-B1 | C-2' METHYLATED DERIVATIVES OF PACLITAXEL FOR USE AS ANTITUMOUR AGENTS | INDENA SPA (IT) | 2007-06-06 | — | — | EP | disclosed |
| US-7153884-B2 | C-2′ methylated derivatives of paclitaxel for use as antitumour agents | INDENA S.P.A. (IT) | 2006-12-26 | — | — | US | disclosed |
| US-20040242674-A1 | C-2' methylated derivatives of paclitaxel for use as antitumour agents | INDENA S.P.A. (IT) | 2004-12-02 | — | — | US | disclosed |