⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4687062 | 0.92 | — | — | |
| SCHEMBL4684674 | 0.90 | KDM4E (0.44) | — | |
| SCHEMBL4684810 | 0.90 | KDM4E (0.44) | — | |
| SCHEMBL1837224 | 0.85 | KDM4E (0.48) | — | |
| SCHEMBL1309431 | 0.85 | TDP1 (0.42) | — | |
| SCHEMBL1309360 | 0.82 | KDM4E (0.52) | — | |
| SCHEMBL2448290 | 0.82 | — | — | |
| SCHEMBL1839119 | 0.82 | KDM4E (0.52) | — | |
| SCHEMBL1837168 | 0.82 | KDM4E (0.52) | — | |
| SCHEMBL11173620 | 0.82 | KDM4E (0.52) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4035420-A | CARDIOVASCULAR DISORDERS | AKTIEBOLAGET HASSLE (SW) | 1977-07-12 | — | — | US | claimed |
| 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-20070112037-A1 | Pyrazole Derivatives | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2007-05-17 | — | — | US | disclosed |
| US-7183306-B2 | Pyrazole derivatives | ASTELLAS PHARMA INC. (JP) | 2007-02-27 | — | — | US | disclosed |
| US-20040116475-A1 | Pyrazole derivatives | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-06-17 | — | — | US | 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 |
| US-4078146-A | TREATMENT OF CARDIO-VASCULAR DISORDERS | AKTIEBOLAGET HASSLE (SW) | 1978-03-07 | — | — | US | disclosed |
| US-4035420-A | CARDIOVASCULAR DISORDERS | AKTIEBOLAGET HASSLE (SW) | 1977-07-12 | — | — | US | disclosed |