SCHEMBL7074989

SCHEMBL7074989

Cc1c(F)c(F)c(C(=O)O)c(F)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 11/20 0.41
TAS1R1 Q7RTX1 10/20 0.41
TAS1R2 Q8TE23 10/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL2011531 0.92 MEN1 (0.46) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL19130691 0.92 MEN1 (0.41) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL503607 0.92 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL27805263 0.90 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL13447235 0.90 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2MEN1KMT2A
Hydrochloric Acid SCHEMBL6740806 0.90 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL2860749 0.87 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL545012 0.86 HCAR2 (0.41) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL6578763 0.86 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL18774734 0.86 CYP1A2 (0.41) TAS1R3TAS1R1TAS1R2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362365-B1 DEFLUORINATION OF THE TETRAFUOROISOPHALATE DERIVATIVE USING ORGANO ALKYL METALLIC COMPOUND TO ALKYLATE AT THE 6 POSITION AND THEN DECARBOXYLATION CLARIANT GMBH (DE) 2002-03-26 US claimed
EP-1002786-A1 Process for the preparation of trifluorobenzoic acids Clariant GmbH (DE) 2000-05-24 EP claimed
CN-107074857-A Method for preparing crystallization organic semiconducting materials 巴斯夫欧洲公司 2017-08-18 CN disclosed
CN-107004768-A Organic semiconductor composition containing a liquid medium 巴斯夫欧洲公司 2017-08-01 CN disclosed
EP-1002786-B1 Process for the preparation of trifluorobenzoic acids CLARIANT GMBH (DE) 2003-06-18 EP disclosed
US-6362365-B1 DEFLUORINATION OF THE TETRAFUOROISOPHALATE DERIVATIVE USING ORGANO ALKYL METALLIC COMPOUND TO ALKYLATE AT THE 6 POSITION AND THEN DECARBOXYLATION CLARIANT GMBH (DE) 2002-03-26 US disclosed
EP-1002786-A1 Process for the preparation of trifluorobenzoic acids Clariant GmbH (DE) 2000-05-24 EP disclosed
EP-1002786-A1 Process for the preparation of trifluorobenzoic acids Clariant GmbH (DE) 2000-05-24 EP disclosed