⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26606091 | 0.94 | — | — | |
| SCHEMBL1878838 | 0.94 | — | — | |
| SCHEMBL1901757 | 0.94 | — | — | |
| Lithium Ion SCHEMBL29147404 | 0.88 | — | — | |
| SCHEMBL29147403 | 0.88 | — | — | |
| Phosphine SCHEMBL15882761 | 0.88 | — | — | |
| SCHEMBL7732445 | 0.88 | — | — | |
| SCHEMBL2138872 | 0.88 | — | — | |
| Benzene SCHEMBL19915272 | 0.85 | — | — | |
| Benzene SCHEMBL17221861 | 0.85 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117645533-A | Synthesis method of 4- (trifluoromethyl) cyclohexanone | 泰州精英化成医药科技有限公司 | 2024-03-05 | — | — | CN | claimed |
| CN-112321496-B | Method for synthesizing 2-amino-3-chloro-5-trifluoromethylpyridine | 内蒙古佳瑞米精细化工有限公司 | 2022-03-04 | — | — | CN | claimed |
| CN-112321496-A | Method for synthesizing 2-amino-3-chloro-5-trifluoromethylpyridine | 内蒙古佳瑞米精细化工有限公司 | 2021-02-05 | — | — | CN | claimed |
| CN-117645533-A | Synthesis method of 4- (trifluoromethyl) cyclohexanone | 泰州精英化成医药科技有限公司 | 2024-03-05 | — | — | CN | disclosed |
| CN-117645533-A | Synthesis method of 4- (trifluoromethyl) cyclohexanone | 泰州精英化成医药科技有限公司 | 2024-03-05 | — | — | CN | disclosed |
| CN-114729199-A | Compound and fluorescent-labeled biological substance using same | 富士胶片株式会社 | 2022-07-08 | — | — | CN | disclosed |
| CN-112321496-B | Method for synthesizing 2-amino-3-chloro-5-trifluoromethylpyridine | 内蒙古佳瑞米精细化工有限公司 | 2022-03-04 | — | — | CN | disclosed |
| CN-112321496-A | Method for synthesizing 2-amino-3-chloro-5-trifluoromethylpyridine | 内蒙古佳瑞米精细化工有限公司 | 2021-02-05 | — | — | CN | disclosed |
| EP-2712367-B1 | DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE | UNIV SOUTHERN CALIFORNIA (US) | 2018-09-26 | — | — | EP | disclosed |
| US-9334253-B2 | Direct trifluoromethylations using trifluoromethane | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2016-05-10 | — | — | US | disclosed |
| US-9175021-B2 | Process for the preparation of perfluoroalkylcyano- or perfluoroalkylcyanofluoroborates | MERCK PATENT GMBH (DE) | 2015-11-03 | — | — | US | disclosed |
| US-20150166588-A1 | PROCESS FOR THE PREPARATION OF PERFLUOROALKYLCYANO- OR PERFLUOROALKYLCYANOFLUOROBORATES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2015-06-18 | — | — | US | disclosed |
| US-8927757-B2 | Process for the preparation of perfluoroalkylcyano- or perfluoroalkylcyanofluoroborates | MERCK PATENT GMBH (DE) | 2015-01-06 | — | — | US | disclosed |
| US-20140066640-A1 | DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2014-03-06 | — | — | US | disclosed |
| US-20120309981-A1 | PROCESS FOR THE PREPARATION OF PERFLUOROALKYLCYANO- OR PERFLUOROALKYLCYANOFLUOROBORATES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-12-06 | — | — | US | disclosed |
| WO-2012148772-A1 | DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2012-11-01 | — | — | WO | disclosed |