⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3382147 | 0.78 | — | — | |
| SCHEMBL6908704 | 0.77 | CYP2D6 (0.31) | — | |
| SCHEMBL14478291 | 0.77 | — | — | |
| SCHEMBL6204634 | 0.77 | — | — | |
| SCHEMBL8528473 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL1679328 | 0.76 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL14737374 | 0.74 | — | — | |
| SCHEMBL6910876 | 0.74 | KDM4E (0.35) | — | |
| SCHEMBL16215520 | 0.74 | — | — | |
| SCHEMBL1678865 | 0.72 | — | — |
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 |
| 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 |