SCHEMBL7500208

SCHEMBL7500208

O=C(Cl)CC(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.40
PLOD3 O60568 2/20 0.39
PLOD1 Q02809 2/20 0.39
FAAH O00519 8/20 0.37
CES1 P23141 7/20 0.36
CES2 O00748 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA2 P00918 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC6 Q9UBN7 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL183178 0.81 PLOD2 (0.46) PLOD2PLOD3PLOD1FAAHCES1
SCHEMBL3679166 0.80
SCHEMBL6517983 0.78 PLOD2 (0.44) PLOD2PLOD3PLOD1FAAHCES1
SCHEMBL9283764 0.78 PLOD2 (0.44) PLOD2PLOD3PLOD1FAAHCES1
SCHEMBL9326020 0.78 PLOD2 (0.44) PLOD2PLOD3PLOD1FAAHCES1
Water SCHEMBL7197275 0.78 PLOD2 (0.44) PLOD2PLOD3PLOD1FAAHCES1
SCHEMBL6520648 0.78 PLOD2 (0.44) PLOD2PLOD3PLOD1FAAHCES1
Water SCHEMBL7191917 0.78 PLOD2 (0.44) PLOD2PLOD3PLOD1FAAHCES1
SCHEMBL7213763 0.78 PLOD2 (0.44) PLOD2PLOD3PLOD1FAAHCES1
SCHEMBL31182132 0.78 PLOD2 (0.44) PLOD2PLOD3PLOD1FAAHCES1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948482-B1 METHOD FOR PRODUCING TRIFLUOROACETOACETIC ACID ANILIDES BAYER AG (DE) 2002-04-03 EP claimed
US-6136975-A Method for producing trifluoroacetoacetic acid anilides BAYER AKTIENGESELLSCHAFT (DE) 2000-10-24 US claimed
WO-2023237027-A1 COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF IN PREPARING BICYCLOPYRONE INTERMEDIATE 山东潍坊润丰化工股份有限公司 2023-12-14 WO disclosed
CN-115232008-A Compound, preparation method thereof and application of compound in preparation of fluroxypyr intermediate 山东潍坊润丰化工股份有限公司 2022-10-25 CN disclosed
CN-114716320-B Compound, preparation method thereof and application of compound in preparation of fluroxypyr intermediate 山东潍坊润丰化工股份有限公司 2022-09-27 CN disclosed
CN-114716320-A Compound, preparation method thereof and application of compound in preparation of fluroxypyr intermediate 山东潍坊润丰化工股份有限公司 2022-07-08 CN disclosed
WO-2015004035-A1 METHOD FOR PREPARATION OF 4-ALKOXY-1,1,1-TRIFLUOROBUT-3-EN-2-ONES FROM TRIFLUOROACETYLACETIC ACID LONZA LTD (CH) 2015-01-15 WO disclosed
WO-2015004035-A1 METHOD FOR PREPARATION OF 4-ALKOXY-1,1,1-TRIFLUOROBUT-3-EN-2-ONES FROM TRIFLUOROACETYLACETIC ACID LONZA LTD (CH) 2015-01-15 WO disclosed
EP-2821399-A1 Method for preparation of 6-trifluoromethylpyridine-3-carboxylic acid derivatives from 4,4,4-trifluoro-3-oxobutanoyl chloride Lonza Ltd (CH) 2015-01-07 EP disclosed
EP-2821399-A1 Method for preparation of 6-trifluoromethylpyridine-3-carboxylic acid derivatives from 4,4,4-trifluoro-3-oxobutanoyl chloride Lonza Ltd (CH) 2015-01-07 EP disclosed
EP-2821399-A1 Method for preparation of 6-trifluoromethylpyridine-3-carboxylic acid derivatives from 4,4,4-trifluoro-3-oxobutanoyl chloride Lonza Ltd (CH) 2015-01-07 EP disclosed
EP-2818461-A1 Method for preparation of 6-trifluoromethylpyridine-3-carboxylic acid derivatives from 4,4,4-trifluoro-3-oxobutanoyl chloride Lonza Ltd (CH) 2014-12-31 EP disclosed
EP-2818461-A1 Method for preparation of 6-trifluoromethylpyridine-3-carboxylic acid derivatives from 4,4,4-trifluoro-3-oxobutanoyl chloride Lonza Ltd (CH) 2014-12-31 EP disclosed
EP-2818461-A1 Method for preparation of 6-trifluoromethylpyridine-3-carboxylic acid derivatives from 4,4,4-trifluoro-3-oxobutanoyl chloride Lonza Ltd (CH) 2014-12-31 EP disclosed
CN-1100754-C Preparation method of trifluoroacetylacetanilide BAYER AG (DE) 2003-02-05 CN disclosed
US-6136975-A Method for producing trifluoroacetoacetic acid anilides BAYER AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed
US-6136975-A Method for producing trifluoroacetoacetic acid anilides BAYER AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed
CN-1240423-A Preparation method of trifluoroacetylacetanilide BAYER AG (DE) 2000-01-05 CN disclosed
WO-1995032952-A1 PROCESS FOR THE PREPARATION OF 3-ARYLURACILS CIBA-GEIGY AG (CH) 1995-12-07 WO disclosed
US-4785129-A Methyl 4,4,4-trifluoro-3-oxo-butanethioate MONSANTO COMPANY (US) 1988-11-15 US disclosed