Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7154700

COc1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(C(=N)N)c3)c(C(=O)O)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
F3 P13726 15/20 0.56
F2 P00734 11/20 0.56
F10 P00742 2/20 0.51
F7 P08709 2/20 0.51
TCF4 P15884 1/20 0.48
CTNNB1 P35222 1/20 0.48

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 SCHEMBL7153927 0.92 F2 (0.49) ALDH1A1F3F2F10F7
Trifluoroacetic Acid SCHEMBL7157181 0.91 F3 (0.50) F3F2F10F7
Trifluoroacetic Acid SCHEMBL7151889 0.91 F2 (0.51) ALDH1A1F3F2
Trifluoroacetic Acid SCHEMBL7155335 0.88 F2 (0.56) ALDH1A1F3F2F10F7
Trifluoroacetic Acid SCHEMBL7153324 0.85 F2 (0.48) ALDH1A1F3F2TCF4CTNNB1
Trifluoroacetic Acid SCHEMBL7158701 0.84 F2 (0.53) ALDH1A1F3F2F10F7
Trifluoroacetic Acid SCHEMBL7158686 0.83 F2 (0.45) ALDH1A1F3F2F10F7
Trifluoroacetic Acid SCHEMBL7151221 0.83 ST14 (0.62) F2F10
Trifluoroacetic Acid SCHEMBL7150780 0.83 PRSS1 (0.55) ALDH1A1F3F2F10F7
Trifluoroacetic Acid SCHEMBL7153799 0.83 ALDH1A1 (0.51) ALDH1A1F3F2F10F7

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