⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7090001 | 0.83 | ALDH1A1 (0.49) | — | |
| SCHEMBL983428 | 0.78 | — | — | |
| SCHEMBL6827852 | 0.78 | — | — | |
| SCHEMBL7965354 | 0.78 | — | — | |
| SCHEMBL4652397 | 0.78 | — | — | |
| SCHEMBL8146532 | 0.78 | ALDH1A1 (0.54) | — | |
| SCHEMBL16492648 | 0.78 | ALDH1A1 (0.51) | — | |
| SCHEMBL5644585 | 0.77 | — | — | |
| SCHEMBL16153545 | 0.75 | ALDH1A1 (0.49) | — | |
| SCHEMBL5471638 | 0.75 | ALDH1A1 (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1092639-C | Benzene-fused heterocyclic derivative and use thereof | TORAY INDUSTRIES (JP) | 2002-10-16 | — | — | CN | disclosed |
| US-6323235-B1 | CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS | OHTAKE ATSUSHI (JP) | 2001-11-27 | — | — | US | disclosed |
| US-6043264-A | A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA | TORAY INDUSTRIES, INC. (JP) | 2000-03-28 | — | — | US | disclosed |
| CN-1148381-A | Benzene-fused heterocyclic derivative and use thereof | TORAY INDUSTRIES (JP) | 1997-04-23 | — | — | CN | disclosed |
| EP-0751126-A1 | BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME | TORAY INDUSTRIES, INC. (JP) | 1997-01-02 | — | — | EP | disclosed |