SCHEMBL7590660

SCHEMBL7590660

O=C(OC1CC1)C(F)(F)S(=O)(=O)F

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL7597554 0.92 CYP19A1 (0.37) GPR35
SCHEMBL7595194 0.92 CYP19A1 (0.34) GPR35
SCHEMBL7872953 0.90 CYP19A1 (0.40) GPR35
SCHEMBL13225194 0.83 ALDH1A1 (0.43) GPR35
SCHEMBL10099514 0.77 ALDH1A1 (0.38)
SCHEMBL686574 0.76 ALDH1A1 (0.40) GPR35
SCHEMBL107375 0.76 ALDH1A1 (0.40) GPR35
SCHEMBL13225409 0.76 ALDH1A1 (0.36)
SCHEMBL13225419 0.76 ALDH1A1 (0.36)
SCHEMBL13225508 0.76 ALDH1A1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968994-B1 PROCESS FOR PRODUCING SUBSTITUTED TRIFLUOROBENZOIC ACIDS AND ESTERS THEREOF UBE INDUSTRIES (JP) 2002-11-06 EP disclosed
US-6307091-B1 TRIFLUOROMETHYLATING A TRIFLUOROIODOBENZOIC ACID ESTER WITH ADIFLUORO(FLUOROSULFONYL)ACETIC ACID ESTER IN THE PRESENCE OF A COPPER CATALYST IN AN ORGANIC SOLVENT. UBE INDUSTRIES, LTD. (JP) 2001-10-23 US disclosed
US-6160171-A Trifluoro-substituted benzoic acid, esters thereof, and process for producing the same UBE INDUSTRIES, LTD. (JP) 2000-12-12 US disclosed
EP-0968994-A1 SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2000-01-05 EP disclosed