⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL292770 | 0.85 | TAS1R3 (0.45) | — | |
| SCHEMBL2821774 | 0.77 | CA12 (0.54) | — | |
| SCHEMBL1994632 | 0.76 | — | — | |
| SCHEMBL43128 | 0.76 | — | — | |
| SCHEMBL7963349 | 0.75 | PLA2G2C (0.49) | — | |
| SCHEMBL422585 | 0.74 | — | — | |
| SCHEMBL4722812 | 0.74 | — | — | |
| SCHEMBL4233769 | 0.74 | — | — | |
| SCHEMBL6566653 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL10822892 | 0.72 | CA12 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8158790-B2 | Cyclic amine compound | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-04-17 | — | — | US | disclosed |
| EP-2036896-B1 | CYCLIC AMINE COMPOUND | DAIICHI SANKYO CO LTD (JP) | 2012-03-14 | — | — | EP | disclosed |
| US-20090286807-A1 | CYCLIC AMINE COMPOUND | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-11-19 | — | — | US | disclosed |
| EP-2036896-A1 | CYCLIC AMINE COMPOUND | Daiichi Sankyo Company, Limited (JP) | 2009-03-18 | — | — | EP | disclosed |