⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL14697902 | 0.83 | CA5A (0.32) | — | |
| SCHEMBL28791806 | 0.81 | — | — | |
| SCHEMBL20328583 | 0.64 | — | — | |
| SCHEMBL7143771 | 0.59 | — | — | |
| SCHEMBL620943 | 0.59 | ALDH1A1 (0.33) | — | |
| SCHEMBL7143769 | 0.59 | — | — | |
| SCHEMBL22167055 | 0.56 | — | — | |
| SCHEMBL1768912 | 0.56 | — | — | |
| SCHEMBL707917 | 0.56 | — | — | |
| SCHEMBL5253 | 0.56 | — | — |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117303991-A | 4-trifluoromethyl substituted aromatic amine and synthesis method thereof | 江苏笃行致远新材料科技有限公司 | 2023-12-29 | — | — | CN | claimed |
| EP-2712367-B1 | DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE | UNIV SOUTHERN CALIFORNIA (US) | 2018-09-26 | — | — | EP | claimed |
| CN-105968107-A | Preparation method of tetrabenazine | 宁波高新区夏远科技有限公司 | 2016-09-28 | — | — | CN | claimed |
| US-9334253-B2 | Direct trifluoromethylations using trifluoromethane | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2016-05-10 | — | — | US | claimed |
| US-20140066640-A1 | DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2014-03-06 | — | — | US | claimed |
| WO-2012148772-A1 | DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2012-11-01 | — | — | WO | claimed |
| CN-117303991-A | 4-trifluoromethyl substituted aromatic amine and synthesis method thereof | 江苏笃行致远新材料科技有限公司 | 2023-12-29 | — | — | CN | disclosed |
| CN-116130766-B | Electrolyte and sodium ion battery | 三一红象电池有限公司 | 2023-11-14 | — | — | CN | disclosed |
| CN-108699049-B | Process for preparing benzoxazole compounds | 住友化学株式会社 | 2021-06-25 | — | — | CN | disclosed |
| CN-110312729-A | It is used to prepare the phosphine precursor and quantum dot prepared therefrom of quantum dot | SK化学株式会社 | 2019-10-08 | — | — | CN | disclosed |
| US-10246445-B2 | Method for producing benzoxazole compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2019-04-02 | — | — | US | disclosed |
| CN-109417202-A | The electrolyte of phosphorous system's magnesium ion | 富士胶片和光纯药株式会社 | 2019-03-01 | — | — | CN | disclosed |
| US-20190040049-A1 | METHOD FOR PRODUCING BENZOXAZOLE COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2019-02-07 | — | — | US | disclosed |
| CN-1745085-A | Novel tetracyclic heteroatom containing derivatives as selective estrogen receptor modulators | ORTHO MCNEIL PHARM INC (US) | 2006-03-08 | — | — | CN | disclosed |
| EP-0687267-B1 | PYRROLO-PYRIDINE DERIVATIVES AS LIGANDS OF DOPAMINE RECEPTOR | MERCK SHARP & DOHME (GB) | 1999-09-01 | — | — | EP | disclosed |
| US-5700809-A | Pyrrolo-pyridine derivatives | MERCK SHARP & DOHME, LTD. (GB) | 1997-12-23 | — | — | US | disclosed |
| EP-0699203-A1 | THIOMARINOL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MICROBICIDES AND HERBICIDES | SMITHKLINE BEECHAM PLC (GB) | 1996-03-06 | — | — | EP | disclosed |
| EP-0687267-A1 | PYRROLO-PYRIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1995-12-20 | — | — | EP | disclosed |
| WO-1994028001-A1 | THIOMARINOL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MICROBICIDES AND HERBICIDES | SMITHKLINE BEECHAM PLC (GB) | 1994-12-08 | — | — | WO | disclosed |
| WO-1994020459-A2 | PYRROLO-PYRIDINE DERIVATIVES AS DOPAMINE RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1994-09-15 | — | — | WO | disclosed |