⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5604064 | 0.78 | — | — | |
| SCHEMBL27811310 | 0.74 | — | — | |
| SCHEMBL5663834 | 0.74 | — | — | |
| SCHEMBL27495752 | 0.74 | — | — | |
| SCHEMBL11124915 | 0.74 | LDHA (0.42) | — | |
| SCHEMBL5603717 | 0.74 | — | — | |
| SCHEMBL426441 | 0.73 | — | — | |
| SCHEMBL9770799 | 0.72 | CES2 (0.33) | — | |
| SCHEMBL620772 | 0.71 | — | — | |
| SCHEMBL2414701 | 0.70 | HDAC1 (0.43) | — |
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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114210288-B | 1, 1-difluoroacetone production device and production method thereof | 科莱博(江苏)科技股份有限公司 | 2023-09-05 | — | — | CN | claimed |
| EP-2571854-B1 | METHOD FOR MANUFACTURING 1-ALKYL-3-DIFLUORMETHYL-5-HYDROXYPYRAZOLES | BAYER IP GMBH (DE) | 2014-11-05 | — | — | EP | claimed |
| EP-0135491-B1 | HERBICIDAL 2,6-BIS-FLUOROMETHYL-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID ESTERS | MONSANTO COMPANY (US) | 1989-01-25 | — | — | EP | claimed |
| CN-118834131-A | Method for separating methyl acetate/ethyl acetate-methanol/ethanol-water mixed solution by adopting NMP solvent circulation extraction and rectification | 湖南工程学院 | 2024-10-25 | — | — | CN | disclosed |
| CN-118420467-B | Method for separating methyl acetate/ethyl acetate-methanol/ethanol-water mixed solution by using NMP waste liquid | 湖南工程学院 | 2024-08-30 | — | — | CN | disclosed |
| CN-118420467-A | Method for separating methyl acetate/ethyl acetate-methanol/ethanol-water mixed solution by using NMP waste liquid | 湖南工程学院 | 2024-08-02 | — | — | CN | disclosed |
| CN-117960075-A | Continuous production system and process of 1-methyl-3-difluoromethyl-1H-pyrazole-4-carboxylic acid | 天津凯莱英医药科技发展有限公司 | 2024-05-03 | — | — | CN | disclosed |
| CN-117720528-A | Oxadiazole sulfonamide compound containing pyrazole structure, and preparation method and application thereof | 贵州大学 | 2024-03-19 | — | — | CN | disclosed |
| CN-117720528-A | Oxadiazole sulfonamide compound containing pyrazole structure, and preparation method and application thereof | 贵州大学 | 2024-03-19 | — | — | CN | disclosed |
| CN-112119063-B | Method for producing 3-difluoromethylpyrazole compound, method for producing 3-difluoromethylpyrazole-4-carboxylic acid compound, and pyrazolidine compound | 富士胶片株式会社 | 2023-10-17 | — | — | CN | disclosed |
| CN-114210288-B | 1, 1-difluoroacetone production device and production method thereof | 科莱博(江苏)科技股份有限公司 | 2023-09-05 | — | — | CN | disclosed |
| EP-1765764-A1 | PROCESS FOR THE PREPARATION OF 4,4-DIFLUORO-3-OXOBUTANOIC ACID ESTERS | Syngeta Participations AG (CH) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006005612-A1 | PROCESS FOR THE PREPARATION OF 4,4-DIFLUORO-3-OXOBUTANOIC ACID ESTERS | SYNGENTA PARTICIPATIONS AG (CH) | 2006-01-19 | — | — | WO | disclosed |
| CN-1207256-C | Production of organic compounds which are low in fluoride | SOLVAY FLUOR & DERIVATE (DE) | 2005-06-22 | — | — | CN | disclosed |
| EP-1094999-B1 | PRODUCTION OF ORGANIC COMPOUNDS WHICH ARE LOW IN FLUORIDE | SOLVAY FLUOR & DERIVATE (DE) | 2004-09-15 | — | — | EP | disclosed |
| CN-1305446-A | production of organic compounds which are low in fluoride | SOLVAY FLUOR & DERIVATE (DE) | 2001-07-25 | — | — | CN | disclosed |
| US-6252105-B1 | ABSORPTION OF HYDROLYZABLE FLUORIDE COMPOUND IMPURITIES ONTO A SCAVENGING OXIDE MATERIAL TO PURIFY THE DESIRED FLUORINATED ORGANIC COMPOUND; BY-PRODUCT INHIBITION, CORROSION RESISTANC | SOLVAY FLUOR UND DERIVATE GMBH (DE) | 2001-06-26 | — | — | US | disclosed |
| EP-1094999-A2 | PRODUCTION OF ORGANIC COMPOUNDS WHICH ARE LOW IN FLUORIDE | Solvay Fluor und Derivate GmbH (DE) | 2001-05-02 | — | — | EP | disclosed |
| WO-2000001647-A3 | PRODUCTION OF ORGANIC COMPOUNDS WHICH ARE LOW IN FLUORIDE | SOLVAY FLUOR & DERIVATE (DE) | 2000-04-06 | — | — | WO | disclosed |
| WO-2000001647-A2 | PRODUCTION OF ORGANIC COMPOUNDS WHICH ARE LOW IN FLUORIDE | SOLVAY FLUOR UND DERIVATE GMBH (DE) | 2000-01-13 | — | — | WO | disclosed |