⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6042809 | 0.93 | ALDH1A1 (0.62) | — | |
| SCHEMBL4687305 | 0.91 | ALDH1A1 (0.60) | — | |
| SCHEMBL2908987 | 0.86 | — | — | |
| SCHEMBL2052713 | 0.79 | — | — | |
| SCHEMBL11159092 | 0.78 | ALDH1A1 (0.60) | — | |
| SCHEMBL29061272 | 0.78 | — | — | |
| SCHEMBL1259456 | 0.77 | — | — | |
| SCHEMBL724694 | 0.77 | — | — | |
| SCHEMBL11159088 | 0.77 | ALDH1A1 (0.58) | — | |
| SCHEMBL10950345 | 0.76 | MEN1 (0.62) | — |
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-2611785-B1 | N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYL CARBOXYLIC ACID AMIDES AND USE OF SAME AS HERBICIDES | BAYER IP GMBH (DE) | 2014-06-04 | — | — | EP | disclosed |
| US-8481749-B2 | N-(tetrazol-5-yl)- and N-(triazol-5-yl)arylcarboxamides and their use as herbicides | BAYER CROPSCIENCE AG (DE) | 2013-07-09 | — | — | US | disclosed |
| EP-1902717-A2 | Vasopressin antagonist and oxytocin antagonist | Otsuka Pharmaceutical Company, Limited (JP) | 2008-03-26 | — | — | EP | disclosed |
| EP-0620003-B1 | VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST | OTSUKA PHARMA CO LTD (JP) | 2008-01-16 | — | — | EP | disclosed |
| US-5753644-A | Vasopressin antagonist and oxytocin antagonist | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| US-5622947-A | VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-04-22 | — | — | US | disclosed |
| EP-0620003-A1 | VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-10-19 | — | — | EP | disclosed |