⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14685060 | 1.00 | — | — | |
| SCHEMBL16838735 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28816718 | 0.98 | TSHR (0.40) | — | |
| Hydrochloric Acid SCHEMBL27999845 | 0.98 | TSHR (0.40) | — | |
| Hydrochloric Acid SCHEMBL27999846 | 0.98 | TSHR (0.40) | — | |
| SCHEMBL2589071 | 0.87 | TSHR (0.48) | — | |
| Hydrochloric Acid SCHEMBL6783166 | 0.85 | TSHR (0.46) | — | |
| SCHEMBL11303771 | 0.81 | TSHR (0.42) | — | |
| SCHEMBL2699709 | 0.81 | — | — | |
| SCHEMBL2697635 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117412959-A | Substituted 1-aryl-1 '-heteroaryl compounds, substituted 1,1' -biaryl compounds, and methods of use thereof | 爱彼特生物制药公司 | 2024-01-16 | — | — | CN | disclosed |
| US-20230174570-A1 | NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LIMITED (IN) | 2023-06-08 | — | — | US | disclosed |
| US-20230174570-A1 | NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LIMITED (IN) | 2023-06-08 | — | — | US | disclosed |
| CN-115380040-A | Novel triterpene derivatives as HIV inhibitors | 熙德隆制药有限公司 | 2022-11-22 | — | — | CN | disclosed |
| WO-2021161206-A1 | NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LIMITED (IN) | 2021-08-19 | — | — | WO | disclosed |
| US-8735599-B2 | Substituted imidazole derivates | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2014-05-27 | — | — | US | disclosed |
| US-8735599-B2 | Substituted imidazole derivates | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2014-05-27 | — | — | US | disclosed |
| EP-1765789-B1 | N-(1-(1-BENZYL-4-PHENYL-1H-IMIDAZOL-2-YL)-2,2-DIMETHYLPROPYL)BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS KINESIN SPINDLE PROTEIN (KSP) INHIBITORS FOR THE TREATMENT OF CANCER | NOVARTIS AG (CH) | 2013-02-27 | — | — | EP | disclosed |
| US-20130017196-A1 | SUBSTITUTED IMIDAZOLE DERIVATIVES | CHIRON CORPORATION | 2013-01-17 | — | — | US | disclosed |
| US-20130017196-A1 | SUBSTITUTED IMIDAZOLE DERIVATIVES | CHIRON CORPORATION | 2013-01-17 | — | — | US | disclosed |
| US-8318791-B2 | Substituted imidazole derivatives | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2012-11-27 | — | — | US | disclosed |
| US-8318791-B2 | Substituted imidazole derivatives | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2012-11-27 | — | — | US | disclosed |
| US-20100105914-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-29 | — | — | US | disclosed |
| US-7652153-B2 | Use in controlling apoptosis, as antiinflammatory agents, in treating autoimmune disease, as antiischemic agents, in treating cardiovascular disorders; for example, (S,S)-3-[2-(3-Acetylamino-2-oxo-2H-pyridin-1-yl)-butyrylamino]-4-oxo-5-(2,3,5,6-tetrafluoro-phenoxy)-pentanoic acid | VERTEX PHARMACEUTICALS INCORPORATED | 2010-01-26 | — | — | US | disclosed |
| US-20090258016-A1 | Substituted imidazole derivatives | WANG WEIBO | 2009-10-15 | — | — | US | disclosed |
| US-20090258016-A1 | Substituted imidazole derivatives | WANG WEIBO | 2009-10-15 | — | — | US | disclosed |
| US-7576221-B2 | N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide; kinesin-related proteins (KRP) inhibitors; anticarcinogenic agent | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2009-08-18 | — | — | US | disclosed |
| US-7576221-B2 | N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide; kinesin-related proteins (KRP) inhibitors; anticarcinogenic agent | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2009-08-18 | — | — | US | disclosed |