⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4182151 | 0.90 | — | — | |
| SCHEMBL4183454 | 0.86 | KLK7 (0.31) | — | |
| SCHEMBL4183449 | 0.86 | KLK7 (0.31) | — | |
| SCHEMBL4183453 | 0.86 | KLK7 (0.31) | — | |
| SCHEMBL4185494 | 0.81 | CYP2D6 (0.30) | — | |
| SCHEMBL13778884 | 0.80 | — | — | |
| SCHEMBL4179073 | 0.78 | KLK7 (0.31) | — | |
| SCHEMBL4185499 | 0.77 | CYP2D6 (0.31) | — | |
| SCHEMBL4180191 | 0.72 | SCN9A (0.33) | — | |
| SCHEMBL4180187 | 0.72 | SCN9A (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090186868-A1 | Taxane Compound Having Azetidine Ring Structure | DAIICHI SANKYO COMPANY LIMITED (JP) | 2009-07-23 | — | — | US | disclosed |
| EP-1942109-A1 | TAXANE COMPOUND WITH AZETIDINE RING STRUCTURE | Daiichi Sankyo Company, Limited (JP) | 2008-07-09 | — | — | EP | disclosed |