⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2496004 | 0.81 | PRSS1 (0.37) | — | |
| SCHEMBL2496000 | 0.81 | PRSS1 (0.37) | — | |
| SCHEMBL2493125 | 0.81 | PRSS1 (0.37) | — | |
| SCHEMBL2493123 | 0.81 | PRSS1 (0.37) | — | |
| SCHEMBL8653641 | 0.77 | — | — | |
| SCHEMBL845144 | 0.73 | — | — | |
| SCHEMBL7875347 | 0.72 | CYP2C19 (0.39) | — | |
| SCHEMBL31174654 | 0.70 | PRSS1 (0.33) | — | |
| SCHEMBL7885780 | 0.70 | PRSS1 (0.33) | — | |
| SCHEMBL3893532 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6057324-A | HAVE GPIIB/IIIA RECEPTOR ANTAGONIZING ACTIVITY AND ARE USEFUL FOR AMELIORATING ISCHEMIC CARDIAC DISORDERS, FOR AMELIORATING CEREBROVASCULAR DISORDERS, AND FOR AMELIORATING PERIPHERAL ARTERY DISORDERS | YAMANOUCHI PHARMACEUTICAL CO., LTD (JP) | 2000-05-02 | — | — | US | claimed |
| EP-0905129-A1 | SUBSTITUTED AMIDINOBENZENE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1999-03-31 | — | — | EP | claimed |
| US-6057324-A | HAVE GPIIB/IIIA RECEPTOR ANTAGONIZING ACTIVITY AND ARE USEFUL FOR AMELIORATING ISCHEMIC CARDIAC DISORDERS, FOR AMELIORATING CEREBROVASCULAR DISORDERS, AND FOR AMELIORATING PERIPHERAL ARTERY DISORDERS | YAMANOUCHI PHARMACEUTICAL CO., LTD (JP) | 2000-05-02 | — | — | US | disclosed |
| EP-0905129-A1 | SUBSTITUTED AMIDINOBENZENE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1999-03-31 | — | — | EP | disclosed |