⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7945547 | 0.97 | LDHA (0.44) | — | |
| SCHEMBL11517688 | 0.83 | CES2 (0.42) | — | |
| SCHEMBL3732284 | 0.82 | LDHA (0.32) | — | |
| SCHEMBL20578078 | 0.77 | — | — | |
| SCHEMBL27811308 | 0.77 | — | — | |
| SCHEMBL11124915 | 0.77 | LDHA (0.42) | — | |
| SCHEMBL10867392 | 0.77 | — | — | |
| SCHEMBL27790068 | 0.75 | LDHA (0.40) | — | |
| SCHEMBL1043504 | 0.73 | — | — | |
| SCHEMBL20578077 | 0.73 | — | — |
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 154 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114315577-B | Synthesis method of 2-ethoxymethylene-4, 4-difluoro acetoacetic acid ethyl ester | 湖南海利化工股份有限公司 | 2024-09-13 | — | — | CN | claimed |
| CN-118063317-B | Preparation method of 4, 4-difluoro acetoacetic acid ethyl ester | 江西农业大学 | 2024-06-21 | — | — | CN | claimed |
| CN-118063317-A | Preparation method of 4, 4-difluoro acetoacetic acid ethyl ester | 江西农业大学 | 2024-05-24 | — | — | CN | claimed |
| CN-117736145-A | Microwave-promoted synthesis method of 3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid | 浙江工业大学 | 2024-03-22 | — | — | CN | claimed |
| 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-107876092-A | The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate | 华东理工大学 | 2018-04-06 | — | — | CN | claimed |
| CN-107417719-A | A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate | 华东理工大学 | 2017-12-01 | — | — | CN | claimed |
| EP-2262756-B1 | PROCESS FOR PREPARING ALKYL 2-ALKOXYMETHYLENE-4,4-DIFLUORO-3-OXOBUTYRATES | BASF SE (DE) | 2016-08-31 | — | — | EP | 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 |
| US-8481778-B2 | Process for the preparation of esters of 4-fluorosubstituted 3-oxo-alcanoic acids | SOLVAY (SOCIETE ANONYME) (BE) | 2013-07-09 | — | — | US | claimed |
| CN-102906073-A | Preparation method of 1-alkyl-3-difluoromethyl-5-hydroxypyrazole | BAYER CROPSCIENCE AG | 2013-01-30 | — | — | CN | claimed |
| US-20110301378-A1 | Process for the preparation of esters of 4-fluorosubstituted 3-oxo-alcanoic acids | SOLVAY (SOCIETE ANONYME) (BE) | 2011-12-08 | — | — | US | claimed |
| US-7585998-B2 | Method for producing difluoro-acetyl-acetic acid alkylesters | BAYER CROPSCIENCE AG (DE) | 2009-09-08 | — | — | US | claimed |
| US-20060149091-A1 | Method for producing difluoro-acetyl-acetic acid alkylesters | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2006-07-06 | — | — | US | claimed |
| 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 | 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 |
| WO-2000001647-A2 | PRODUCTION OF ORGANIC COMPOUNDS WHICH ARE LOW IN FLUORIDE | SOLVAY FLUOR UND DERIVATE GMBH (DE) | 2000-01-13 | — | — | WO | disclosed |