Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7153144

COc1cc(C(=O)O)c(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc3cc(C#N)ccc3c2)cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.43
SCN9A Q15858 1/20 0.38
PGR P06401 1/20 0.37
PLA2G7 Q13093 5/20 0.37
AR P10275 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL7155223 0.89 PLA2G7 (0.43) PLA2G7
Trifluoroacetic Acid SCHEMBL7155334 0.88 PLA2G7 (0.40) BRD4PLA2G7
Trifluoroacetic Acid SCHEMBL7150647 0.86 PLA2G7 (0.44) PLA2G7
Trifluoroacetic Acid SCHEMBL7153794 0.84 BRD4 (0.40) BRD4SCN9APGRPLA2G7AR
Trifluoroacetic Acid SCHEMBL6296006 0.84 BRD4 (0.43) BRD4SCN9APLA2G7
SCHEMBL6295040 0.79 BRD4 (0.43) BRD4SCN9APGRPLA2G7AR
Trifluoroacetic Acid SCHEMBL7157237 0.78 PLA2G7 (0.39) SCN9APLA2G7
Trifluoroacetic Acid SCHEMBL6300629 0.77 PLA2G7 (0.44) PLA2G7
SCHEMBL6296007 0.76 BRD4 (0.42) BRD4SCN9APGRPLA2G7AR
Trifluoroacetic Acid SCHEMBL6300737 0.75 BRD4 (0.45) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP disclosed