⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4183056 | 0.93 | — | — | |
| SCHEMBL4182803 | 0.83 | ABHD10 (0.36) | — | |
| SCHEMBL4185572 | 0.83 | — | — | |
| SCHEMBL13778893 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL4179356 | 0.74 | OPRK1 (0.39) | — | |
| SCHEMBL4178783 | 0.69 | KMT2A (0.36) | — | |
| SCHEMBL4189630 | 0.65 | HSD11B1 (0.43) | — | |
| SCHEMBL4178736 | 0.64 | ABHD10 (0.36) | — | |
| SCHEMBL4189538 | 0.59 | KMT2A (0.36) | — | |
| SCHEMBL4170474 | 0.59 | — | — |
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 |