⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16823510 | 0.77 | — | — | |
| SCHEMBL16823509 | 0.77 | — | — | |
| SCHEMBL25322033 | 0.76 | TRPV1 (0.33) | — | |
| SCHEMBL17913542 | 0.76 | TRPV1 (0.33) | — | |
| SCHEMBL25322031 | 0.76 | TRPV1 (0.33) | — | |
| SCHEMBL4970087 | 0.76 | — | — | |
| SCHEMBL22346404 | 0.76 | — | — | |
| SCHEMBL29088493 | 0.75 | — | — | |
| SCHEMBL4974917 | 0.74 | — | — | |
| SCHEMBL5062306 | 0.74 | TRPV1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2098507-B1 | Cyclic amine compound as androgen receptor modulator | TAKEDA PHARMACEUTICAL (JP) | 2014-11-12 | — | — | EP | disclosed |
| US-20100087506-A1 | CYCLIC AMINE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-04-08 | — | — | US | disclosed |
| EP-2098507-A1 | CYCLIC AMINE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-09-09 | — | — | EP | disclosed |