SCHEMBL457385

SCHEMBL457385

O=C(Cl)c1cc(F)c(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
CES2 O00748 5/20 0.39
CES1 P23141 5/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HPGD P15428 3/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
DGAT1 O75907 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL29470949 1.00 ALDH1A1 (0.50) ALDH1A1ALOX15CES2CES1KEAP1
SCHEMBL24710385 0.95 ALDH1A1 (0.54) ALDH1A1ALOX15CES2CES1KEAP1
SCHEMBL28525271 0.89 ALDH1A1 (0.54) ALDH1A1ALOX15CES2CES1KEAP1
SCHEMBL28829562 0.85 CES2 (0.48) ALDH1A1ALOX15CES2CES1KEAP1
SCHEMBL7728912 0.84 CES2 (0.53) ALDH1A1ALOX15CES2CES1CYP11B1
SCHEMBL9793665 0.83 ALDH1A1 (0.45) ALDH1A1ALOX15CES2CES1KEAP1
SCHEMBL30180915 0.83 ALDH1A1 (0.45) ALDH1A1ALOX15CES2CES1KEAP1
SCHEMBL367845 0.81 ALDH1A1 (0.43) ALDH1A1ALOX15CES2CES1KEAP1
SCHEMBL591163 0.81 ALDH1A1 (0.43) ALDH1A1ALOX15CES2CES1KEAP1
SCHEMBL13250855 0.81 ALDH1A1 (0.43) ALDH1A1ALOX15CES2CES1HPGD

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 339 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486706-B Synthesis method of 2,4, 5-trifluoro phenylacetic acid 山东国邦药业有限公司 2024-04-19 CN claimed
CN-117486706-A Synthesis method of 2,4, 5-trifluoro phenylacetic acid 山东国邦药业有限公司 2024-02-02 CN claimed
CN-112142595-A Preparation method and purification method of ethyl 2, 4, 5-trifluorobenzoylacetate 江苏恒盛药业有限公司 2020-12-29 CN claimed
CN-107376875-A A kind of preparation and application of the beta cyclodextrin porous material with quick adsorption ability 湖南理工学院 2017-11-24 CN claimed
CN-103553900-B Synthesis method of 2,4,5-trifluorophenylacetic acid ZHEJIANG ZHONGXIN CHEMICALS CO LTD 2015-05-20 CN claimed
CN-103553900-A Synthesis method of 2,4,5-trifluorophenylacetic acid ZHEJIANG ZHONGXIN CHEMICALS CO LTD 2014-02-05 CN claimed
US-4948894-A BACTERICIDE INTERMEDIATES AMERICAN CYANAMID COMPANY (US) 1990-08-14 US claimed
EP-0164619-B1 2,4,5-TRIHALO OR 2,3,4,5-TETRAHALO BENZENE DERIVATIVES AND PROCESS FOR PRODUCING THEM BAYER AG (DE) 1988-10-12 EP claimed
JP-59098038-A None JP disclosed
EP-4073062-B1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) RYVU THERAPEUTICS S A (PL) 2026-04-29 EP disclosed
EP-4157831-B1 PROCESSES OF PREPARING A JAK1 INHIBITOR INCYTE CORP (US) 2024-10-30 EP disclosed
CN-117486706-B Synthesis method of 2,4, 5-trifluoro phenylacetic acid 山东国邦药业有限公司 2024-04-19 CN disclosed
US-20240091733-A1 SYSTEM OF MODULAR KITS TO PRODUCE CHEMICAL TARGETS OF INTEREST ODH IP Corp. (US) 2024-03-21 US disclosed
CN-114605223-B Method for preparing 2,4, 5-trifluoro-benzyl bromide by using 2,4, 5-trifluoro-benzyl chloride 浙江永太科技股份有限公司 2024-03-15 CN disclosed
EP-0191185-A1 Quinoline-carboxylic acid derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1986-08-20 EP disclosed
EP-0176846-A2 3-Amino-2-benzoyl-acrylic-acid derivatives and process for their preparation BAYER AG (DE) 1986-04-09 EP disclosed
EP-0168737-A2 Process for the preparation of halogenated quinolinoncarboxylic acids BAYER AG (DE) 1986-01-22 EP disclosed
EP-0168732-A2 Process for the preparation of halogenated aroylacetic acid esters BAYER AG (DE) 1986-01-22 EP disclosed
EP-0155587-A1 1,7-Diamino-1,4-dihydro-4-oxo-3(aza)quinoline-carboxylic acids, process for their preparation and their use in treating bacterial diseases BAYER AG (DE) 1985-09-25 EP disclosed
JP-S5998038-A 2,4,5-TRIFLUOROBENZOIC ACID PHENYL ESTER CHISSO CORP 1984-06-06 JP disclosed