Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7151889

COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C(=N)N)cc3)c(C(=O)O)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.51

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.51
PRSS1 P07477 2/20 0.51
PRSS2 P07478 2/20 0.51
PRSS3 P35030 2/20 0.51
ST14 Q9Y5Y6 2/20 0.51
ALDH1A1 P00352 1/20 0.49
MRGPRX1 Q96LB2 2/20 0.48
POLB P06746 1/20 0.48
FFAR4 Q5NUL3 1/20 0.47
PPARG P37231 1/20 0.46
F3 P13726 1/20 0.46
PGR P06401 1/20 0.45
MCL1 Q07820 1/20 0.45
TMPRSS6 Q8IU80 1/20 0.45
GFER P55789 1/20 0.44
PLA2G7 Q13093 1/20 0.44

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 0.93 F2 (0.49) F2PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7151221 0.92 ST14 (0.62) F2PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7154700 0.91 ALDH1A1 (0.58) F2ALDH1A1F3
Trifluoroacetic Acid SCHEMBL7158302 0.89 F2 (0.59) F2PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7152762 0.89 ALDH1A1 (0.47) F2PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7156674 0.88 PRSS1 (0.61) F2PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7157168 0.87 MGAT2 (0.50) F2PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7152732 0.87 F10 (0.47) F2PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7153324 0.86 F2 (0.48) F2PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7150783 0.85 PRSS1 (0.58) F2PRSS1PRSS2PRSS3ST14

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