⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5663829 | 0.82 | — | — | |
| SCHEMBL4948143 | 0.78 | — | — | |
| SCHEMBL22426552 | 0.75 | — | — | |
| SCHEMBL28445979 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL28573035 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL29963834 | 0.74 | ALDH1A1 (0.47) | — | |
| Fluoride SCHEMBL4290491 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL9008682 | 0.73 | — | — | |
| Acetic Acid SCHEMBL31314449 | 0.72 | FFAR3 (0.54) | — | |
| SCHEMBL10838382 | 0.72 | ALDH1A1 (0.38) | — |
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 78 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 |
| CN-102906073-B | Preparation method of 1-alkyl-3-difluoromethyl-5-hydroxypyrazole | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-11-25 | — | — | CN | claimed |
| CN-104447328-A | Method for preparing alkyl 4,4-difluoroacetylacetate | KINGCHEM LIAONING CHEMICAL CO LTD | 2015-03-25 | — | — | CN | claimed |
| EP-2571854-B1 | METHOD FOR MANUFACTURING 1-ALKYL-3-DIFLUORMETHYL-5-HYDROXYPYRAZOLES | BAYER IP GMBH (DE) | 2014-11-05 | — | — | EP | claimed |
| CN-102906073-A | Preparation method of 1-alkyl-3-difluoromethyl-5-hydroxypyrazole | BAYER CROPSCIENCE AG | 2013-01-30 | — | — | CN | 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-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 |
| CN-116239467-A | Preparation method of high-purity difluoroethyl acetate | 南通宝凯药业有限公司 | 2023-06-09 | — | — | CN | disclosed |
| CN-116023331-A | Synthesis method of 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-carboxylic acid | 馨仝(上海)生物科技有限公司 | 2023-04-28 | — | — | CN | disclosed |
| US-6525213-B1 | Esterification of alcohol with carboxylic acid, carboxylic acid chloride or carboxylic acid bromide in presence of acid adduct of 1,5-diazabicyclo(4.3.0)-non-2-ene or 1,8-diazabicyclo(5.4.0)-undec-7-ene | SOLVAY FLUOR UND DERIVATE GMBH (DE) | 2003-02-25 | — | — | US | disclosed |
| EP-1243575-A2 | Preparation of esters in the presence of onium salts | Solvay Fluor und Derivate GmbH (DE) | 2002-09-25 | — | — | 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 |