⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28668080 | 0.85 | ALDH1A1 (0.46) | — | |
| SCHEMBL9622001 | 0.82 | — | — | |
| SCHEMBL23542529 | 0.82 | — | — | |
| SCHEMBL17219825 | 0.80 | HCAR2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL28896364 | 0.80 | ALDH1A1 (0.42) | — | |
| SCHEMBL10263392 | 0.80 | — | — | |
| SCHEMBL27708839 | 0.80 | ALDH1A1 (0.42) | — | |
| SCHEMBL8581911 | 0.78 | GAA (0.61) | — | |
| SCHEMBL5113870 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL23136227 | 0.78 | ALDH1A1 (0.44) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117486818-A | N-phenyl thiotriazinone derivative and preparation method and application thereof | 贵州大学 | 2024-02-02 | — | — | CN | claimed |
| CN-117486818-A | N-phenyl thiotriazinone derivative and preparation method and application thereof | 贵州大学 | 2024-02-02 | — | — | CN | disclosed |
| US-20230054928-A1 | METHOD FOR PREPARING CARBONYL SULFONE | SOOCHOW UNIVERSITY (CN) | 2023-02-23 | — | — | US | disclosed |
| CN-110475474-B | Compounds and methods of use | 西格纳姆生物科学公司 | 2022-11-04 | — | — | CN | disclosed |
| US-10934531-B2 | Method for enantioselective carbene C—H insertion using an iron-containing protein catalyst | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2021-03-02 | — | — | US | disclosed |
| US-20190276805-A1 | METHOD FOR ENANTIOSELECTIVE CARBENE C-H INSERTION USING AN IRON-CONTAINING PROTEIN CATALYST | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2019-09-12 | — | — | US | disclosed |
| WO-2019147865-A1 | A METHOD FOR ENANTIOSELECTIVE CARBENE C-H INSERTION USING AN IRON-CONTAINING PROTEIN CATALYST | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2019-08-01 | — | — | WO | disclosed |
| CN-102858159-B | Chemical compounds | GLAXOSMITHKLINE LLC | 2015-02-11 | — | — | CN | disclosed |
| CN-102633835-B | Method for synthetizing N-( phosphonomethyl) iminodiacetic acid | JIANGSU GOOD HARVEST-WEIEN AGROCHEMICAL CO., LTD. (CN) | 2014-10-29 | — | — | CN | disclosed |
| CN-103998427-A | Oxime ester photoinitiators | BASF SE | 2014-08-20 | — | — | CN | disclosed |
| WO-2009019173-A1 | OXIME ESTER PHOTOINITIATORS | BASF SE (CH) | 2009-02-12 | — | — | WO | disclosed |
| US-7132437-B2 | for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure | G.D. SEARLE (US) | 2006-11-07 | — | — | US | disclosed |
| US-20040220245-A1 | for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure | G.D. SEARLE & CO., | 2004-11-04 | — | — | US | disclosed |
| US-20040121989-A1 | such as methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure | G.D. SEARLE & CO. | 2004-06-24 | — | — | US | disclosed |
| EP-0527851-B1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | SEARLE & CO (US) | 1998-12-23 | — | — | EP | disclosed |
| US-5217985-A | RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION | G. D. SEARLE & CO. (US) | 1993-06-08 | — | — | US | disclosed |
| EP-0527851-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1993-02-24 | — | — | EP | disclosed |
| US-5098920-A | Hypotensive agents and treatment of congestive heart failure | G. D. SEARLE & CO. (US) | 1992-03-24 | — | — | US | disclosed |
| WO-1992004335-A2 | RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION | G.D. SEARLE & CO. (US) | 1992-03-19 | — | — | WO | disclosed |
| WO-1991017148-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1991-11-14 | — | — | WO | disclosed |