⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7754926 | 0.88 | ADH1B (0.44) | — | |
| SCHEMBL1678876 | 0.85 | — | — | |
| SCHEMBL1678318 | 0.83 | ALDH1A1 (0.41) | — | |
| SCHEMBL1678408 | 0.78 | — | — | |
| SCHEMBL17397424 | 0.68 | — | — | |
| SCHEMBL1672079 | 0.68 | — | — | |
| SCHEMBL83420 | 0.67 | ADH1B (0.48) | — | |
| SCHEMBL8604311 | 0.66 | ADH1B (0.41) | — | |
| SCHEMBL7847143 | 0.65 | — | — | |
| SCHEMBL6966593 | 0.64 | SHBG (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116947877-A | Benzimidazole derivative and application thereof in medicine | 四川海思科制药有限公司 | 2023-10-27 | — | — | CN | claimed |
| 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 |