⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8392206 | 0.90 | ACHE (0.30) | — | |
| SCHEMBL3174880 | 0.87 | ALDH1A1 (0.36) | — | |
| SCHEMBL1679028 | 0.82 | — | — | |
| SCHEMBL1678262 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL8391324 | 0.74 | — | — | |
| SCHEMBL1782634 | 0.72 | — | — | |
| SCHEMBL1678896 | 0.71 | — | — | |
| SCHEMBL1780978 | 0.65 | — | — | |
| SCHEMBL241831 | 0.61 | CA1 (0.35) | — | |
| SCHEMBL1679213 | 0.61 | ALDH1A1 (0.35) | — |
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-20100016319-A1 | ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF | TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) | 2010-01-21 | — | — | US | disclosed |
| US-20080255111-A1 | Tissue Factor Production Inhibitor | SANKYO COMPANY LIMITED (JP) | 2008-10-16 | — | — | US | disclosed |
| EP-1970375-A1 | ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2008-09-17 | — | — | EP | 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 |