⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8437959 | 0.86 | TAS1R3 (0.49) | — | |
| SCHEMBL8861089 | 0.85 | ADH1B (0.47) | — | |
| SCHEMBL7053646 | 0.83 | ADH1B (0.50) | — | |
| SCHEMBL498535 | 0.80 | — | — | |
| SCHEMBL2823638 | 0.80 | ALDH1A1 (0.48) | — | |
| SCHEMBL8435514 | 0.78 | — | — | |
| SCHEMBL13932519 | 0.78 | — | — | |
| SCHEMBL331801 | 0.78 | — | — | |
| SCHEMBL21813866 | 0.78 | — | — | |
| SCHEMBL2331782 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0777658-B1 | SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS | BASF AG (DE) | 1999-12-15 | — | — | EP | disclosed |
| US-5885934-A | HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 1999-03-23 | — | — | US | disclosed |
| US-5658926-A | ANTICOAGULANTS, ANTIHISTAMINES, ANTIARRHYTHMIC, CARTIOTONIC AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-08-19 | — | — | US | disclosed |
| EP-0777658-A1 | SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1997-06-11 | — | — | EP | disclosed |
| US-5506239-A | Carbostyril derivative and platelets aggregation inhibitory agent | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-04-09 | — | — | US | disclosed |
| WO-1996005179-A1 | SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-22 | — | — | WO | disclosed |
| EP-0569592-A1 | CARBOSTYRIL DERIVATIVE AND PLATELET AGGLUTINATION INHIBITOR | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-11-18 | — | — | EP | disclosed |