⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1678868 | 0.93 | SIGMAR1 (0.41) | — | |
| SCHEMBL1678851 | 0.91 | SIGMAR1 (0.44) | — | |
| SCHEMBL1679136 | 0.91 | SIGMAR1 (0.44) | — | |
| SCHEMBL5653604 | 0.91 | SIGMAR1 (0.44) | — | |
| SCHEMBL4871929 | 0.89 | SIGMAR1 (0.47) | — | |
| SCHEMBL3956311 | 0.86 | NAMPT (0.38) | — | |
| SCHEMBL5649211 | 0.85 | — | — | |
| SCHEMBL8861016 | 0.83 | SIGMAR1 (0.55) | — | |
| SCHEMBL8860836 | 0.81 | SIGMAR1 (0.58) | — | |
| SCHEMBL8861067 | 0.81 | SIGMAR1 (0.58) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7923573-B2 | Benzene compound having 2 or more substituents | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-04-12 | — | — | US | disclosed |
| US-20080255111-A1 | Tissue Factor Production Inhibitor | SANKYO COMPANY LIMITED (JP) | 2008-10-16 | — | — | US | disclosed |
| US-20080004301-A1 | Benzene Compound Having 2 or More Substituents | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2008-01-03 | — | — | US | disclosed |
| EP-1806332-A1 | BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS | Daiichi Sankyo Company, Limited (JP) | 2007-07-11 | — | — | EP | disclosed |
| EP-1764075-A1 | TISSUE FACTOR PRODUCTION INHIBITOR | Sankyo Company, Limited (JP) | 2007-03-21 | — | — | EP | disclosed |
| US-20070049620-A1 | Cyclic tertiary amine compound | SANKYO COMPANY, LIMITED (JP) | 2007-03-01 | — | — | US | disclosed |
| EP-1632488-A1 | CYCLIC TERTIARY AMINE COMPOUND | Sankyo Company, Limited (JP) | 2006-03-08 | — | — | EP | disclosed |