SCHEMBL7567840

SCHEMBL7567840

O=C(O)c1c(F)cc(F)c(F)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.56
CA2 P00918 8/20 0.56
CA4 P22748 2/20 0.56
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
CA9 Q16790 5/20 0.36
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
MAPT P10636 1/20 0.35
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ASPH Q12797 2/20 0.33
KDM8 Q8N371 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 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
SCHEMBL30143455 1.00 CA1 (0.56) CA1CA2CA4CES2CES1
SCHEMBL503507 0.90 CA1 (0.61) CA1CA2CA4CES2CES1
SCHEMBL29154297 0.87 CA1 (0.58) CA1CA2CA4CES2CES1
SCHEMBL28522302 0.87 CA1 (0.58) CA1CA2CA4CES2CES1
SCHEMBL364018 0.85 CA1 (0.50) CA1CA2CA4CES2CES1
SCHEMBL8994430 0.84 CA1 (0.48) CA1CA2CA4CES2CES1
SCHEMBL13469363 0.79 CA1 (0.45) CA1CA2CA4CES2CES1
SCHEMBL3939411 0.79 CA1 (0.45) CA1CA2CA4CES2CES1
SCHEMBL8073361 0.79 CA1 (0.40) CA1CA2CA4CES2CES1
SCHEMBL13469364 0.79 CA1 (0.50) CA1CA2CA4CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111635307-B 2,4,5-trifluoro-3-methoxybenzoyl chloride synthesis method 浙江华基生物技术有限公司 2023-03-31 CN claimed
CN-103435440-B Synthesis method of 1,2,4-trifluoro benzene ZHEJIANG ZHONGXIN CHEMICALS CO LTD 2015-02-25 CN claimed
CN-103435440-A Synthesis method of 1,2,4-trifluoro benzene ZHEJIANG ZHONGXIN CHEMICALS CO LTD 2013-12-11 CN claimed
EP-0563986-B1 Process for selective hydrodefluorination OCCIDENTAL CHEM CO (US) 1997-09-03 EP claimed
EP-0525066-B1 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID OCCIDENTAL CHEM CO (US) 1997-06-18 EP claimed
US-5596104-A Preparation of 3,4,6-trifluorophthalic acid OCCIDENTAL CHEMICAL CORPORATION (US) 1997-01-21 US claimed
EP-0514863-B1 Process for preparing 3,4,6-trifluorophthalic acid and its anhydride HOECHST AG (DE) 1995-09-13 EP claimed
US-5294738-A Hydrolysis of imide and hydrodefluorination OCCIDENTAL CHEMICAL CORPORATION (US) 1994-03-15 US claimed
EP-0563986-A2 Process for selective hydrodefluorination Occidental Chemical Corporation (US) 1993-10-06 EP claimed
US-5233085-A Dissolving in dipolar aprotic solvent in absence of catalyst and heating OCCIDENTAL CHEMICAL CORPORATION (US) 1993-08-03 US claimed
US-5200556-A Defluorination in aqueous-alkaline medium using zinc HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-06 US claimed
EP-0525066-A4 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID 1993-03-17 EP claimed
EP-0525066-A1 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID. OCCIDENTAL CHEM CO (US) 1993-02-03 EP claimed
EP-0514863-A2 Process for preparing 3,4,6-trifluorophthalic acid and its anhydride HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-25 EP claimed
US-H992-H Using copper catalyst in quinoline or n-methyl-2-pyrrolidone OCCIDENTAL CHEMICAL CORPORATION (US) 1991-11-05 US claimed
WO-1991016308-A1 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID OCCIDENTAL CHEMICAL CORPORATION (US) 1991-10-31 WO claimed
JP-6009489-A None JP disclosed
JP-1160944-A None JP disclosed
JP-H01160944-A PRODUCTION OF 2,4,5-TRIFLUOROBENZOIC ACID NIPPON CARBIDE IND CO INC 1989-06-23 JP disclosed
JP-S6452737-A PRODUCTION OF 2,4,5-TRIFLUOROBENZOIC ACID NIPPON CARBIDE KOGYO KK 1989-02-28 JP disclosed