Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7157181

N=C(N)c1cccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C(=O)O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F3 P13726 19/20 0.50
F2 P00734 14/20 0.50
F7 P08709 2/20 0.49
F10 P00742 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
ST14 Q9Y5Y6 1/20 0.49

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 SCHEMBL7154700 0.91 ALDH1A1 (0.58) F3F2F7F10
Trifluoroacetic Acid SCHEMBL7158701 0.90 F2 (0.53) F3F2F7F10PRSS1
Trifluoroacetic Acid SCHEMBL7151221 0.90 ST14 (0.62) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7155335 0.90 F2 (0.56) F3F2F7F10PRSS1
Trifluoroacetic Acid SCHEMBL7158302 0.88 F2 (0.59) F3F2F10PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7154050 0.83 F2 (0.53) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7150780 0.83 PRSS1 (0.55) F3F2F7F10PRSS1
Trifluoroacetic Acid SCHEMBL7153927 0.83 F2 (0.49) F3F2F7F10PRSS1
Trifluoroacetic Acid SCHEMBL7151889 0.82 F2 (0.51) F3F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7158713 0.82 F2 (0.48) F3F2F7F10PRSS1

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