⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8089337 | 1.00 | — | — | |
| SCHEMBL1875830 | 0.86 | — | — | |
| SCHEMBL251429 | 0.78 | — | — | |
| SCHEMBL1537915 | 0.73 | — | — | |
| SCHEMBL9348 | 0.69 | — | — | |
| SCHEMBL9460916 | 0.67 | — | — | |
| SCHEMBL1144071 | 0.64 | ALDH1A1 (0.32) | — | |
| Cyclohexene SCHEMBL3005 | 0.64 | — | — | |
| SCHEMBL9780488 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL1112359 | 0.64 | ALDH1A1 (0.32) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4287338-A | Sulfooxy-pyrimidinium, -pyridinium, and -triazinium hydroxide inner salts | THE UPJOHN COMPANY (US) | 1981-09-01 | — | — | US | claimed |
| EP-0555537-B1 | Endothelin antagonists | BANYU PHARMA CO LTD (JP) | 2000-11-02 | — | — | EP | disclosed |
| US-5925731-A | FOR TREATMENT OR PROPHYLAXIS OF ACUTE RENAL FAILURE, MYOCARDIAL INFARCTION, HEPATIC DISEASE, OR BRONCHIAL DISORDER | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-20 | — | — | US | disclosed |
| EP-0460679-B1 | Endothelin antagonistic peptide derivatives | BANYU PHARMA CO LTD (JP) | 1998-10-28 | — | — | EP | disclosed |
| EP-0632052-B1 | Endothelin antagonistic peptides | BANYU PHARMA CO LTD (JP) | 1998-09-30 | — | — | EP | disclosed |
| US-5614470-A | AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE | SANKYO COMPANY, LIMITED (JP) | 1997-03-25 | — | — | US | disclosed |
| US-5614498-A | OLIGOPEPTIDES, BRONCHDILATORS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1997-03-25 | — | — | US | disclosed |
| US-5496928-A | Endothelin antagonistic substance | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-03-05 | — | — | US | disclosed |
| US-5494897-A | PENTAPEPTIDES, LINEAR OR CYCLIC | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-02-27 | — | — | US | disclosed |
| US-5470833-A | Vasodilators, bronchodilators | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1995-11-28 | — | — | US | disclosed |
| EP-0632052-A1 | Endothelin antagonistic peptides | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1995-01-04 | — | — | EP | disclosed |
| EP-0555537-A2 | Endothelin antagonistic substance | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1993-08-18 | — | — | EP | disclosed |
| EP-0460679-A2 | Endothelin antagonistic peptide derivatives | Banyu Pharmaceutical Co., Ltd. (JP) | 1991-12-11 | — | — | EP | disclosed |
| EP-0187854-A4 | SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION. | BAZZANO GAIL S | 1987-01-22 | — | — | EP | disclosed |
| EP-0187854-A1 | SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION | BAZZANO, Gail S (US) | 1986-07-23 | — | — | EP | disclosed |
| WO-1986000616-A1 | SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION | BAZZANO GAIL SANSONE | 1986-01-30 | — | — | WO | disclosed |
| US-4287338-A | Sulfooxy-pyrimidinium, -pyridinium, and -triazinium hydroxide inner salts | THE UPJOHN COMPANY (US) | 1981-09-01 | — | — | US | disclosed |
| US-3997669-A | ANTIINFLAMMATORY | CIBA-GEIGY CORPORATION (US) | 1976-12-14 | — | — | US | disclosed |