⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27679194 | 0.91 | CYP1A2 (0.38) | — | |
| SCHEMBL1678376 | 0.84 | — | — | |
| SCHEMBL27267963 | 0.83 | CYP1A2 (0.50) | — | |
| SCHEMBL8210863 | 0.78 | CYP1A2 (0.39) | — | |
| SCHEMBL6251872 | 0.76 | CYP1A2 (0.48) | — | |
| SCHEMBL12098986 | 0.76 | CYP1A2 (0.48) | — | |
| SCHEMBL1679388 | 0.76 | — | — | |
| SCHEMBL9242305 | 0.75 | CYP1A2 (0.52) | — | |
| SCHEMBL2369995 | 0.75 | CYP1A2 (0.46) | — | |
| SCHEMBL1681647 | 0.75 | CYP1A2 (0.46) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101094827-B | Benzene compound having two or more substituents | DAIICHI SANKYO CO LTD | 2012-06-13 | — | — | CN | disclosed |
| 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 |
| CN-101119747-A | Tissue factor production inhibitor | SANKYO CO (JP) | 2008-02-06 | — | — | CN | disclosed |
| US-20080004301-A1 | Benzene Compound Having 2 or More Substituents | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2008-01-03 | — | — | US | disclosed |
| CN-101094827-A | Benzene compound having two or more substituents | SANKYO CO (JP) | 2007-12-26 | — | — | CN | 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 |