⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4319991 | 0.74 | — | — | |
| SCHEMBL1118760 | 0.74 | — | — | |
| SCHEMBL2887595 | 0.74 | — | — | |
| SCHEMBL7309137 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL1007115 | 0.72 | — | — | |
| SCHEMBL11417597 | 0.69 | — | — | |
| SCHEMBL9704744 | 0.69 | — | — | |
| SCHEMBL5200737 | 0.69 | — | — | |
| SCHEMBL2889499 | 0.67 | — | — | |
| SCHEMBL7304826 | 0.67 | CES2 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1718629-B1 | Benzopyran compounds useful for the treatment of arrhytmia | NISSAN CHEMICAL IND LTD (JP) | 2012-12-26 | — | — | EP | disclosed |
| US-7781483-B2 | Benzopyran compound | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2010-08-24 | — | — | US | disclosed |
| US-20070299130-A1 | Benzopyran Compound | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2007-12-27 | — | — | US | disclosed |
| EP-1718629-A2 | BENZOPYRAN COMPOUNDS USEFUL FOR THE TREATMENT OF ARRHYTMIA | Nissan Chemical Industries, Ltd. (JP) | 2006-11-08 | — | — | EP | disclosed |
| WO-2005080368-A2 | BENZOPYRAN COMPOUND USEFUL FOR THE TREATMENT OF ARRHYTMIA | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2005-09-01 | — | — | WO | disclosed |