⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12262720 | 1.00 | — | — | |
| SCHEMBL2388450 | 1.00 | — | — | |
| SCHEMBL28293440 | 0.67 | — | — | |
| SCHEMBL28181327 | 0.67 | — | — | |
| SCHEMBL7226118 | 0.65 | FUCA1 (0.39) | — | |
| SCHEMBL4552451 | 0.59 | ALPL (0.32) | — | |
| SCHEMBL24970008 | 0.59 | — | — | |
| SCHEMBL21370767 | 0.59 | — | — | |
| SCHEMBL24639473 | 0.58 | — | — | |
| SCHEMBL19195070 | 0.58 | ALPL (0.36) | — |
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-2098507-B1 | Cyclic amine compound as androgen receptor modulator | TAKEDA PHARMACEUTICAL (JP) | 2014-11-12 | — | — | EP | disclosed |
| US-8013008-B2 | Cyclic amine compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-09-06 | — | — | US | 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 |