Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7153131

N=C(N)c1ccc(Oc2ccc(NS(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)cs3)cc2C(=O)O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.44

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F3 P13726 5/20 0.40
F10 P00742 2/20 0.40
F7 P08709 1/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
ST14 Q9Y5Y6 2/20 0.40
F9 P00740 1/20 0.39
F2 P00734 10/20 0.39
TMPRSS6 Q8IU80 3/20 0.38
MRGPRX1 Q96LB2 1/20 0.38
MCL1 Q07820 1/20 0.38
ATM Q13315 1/20 0.38

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 SCHEMBL7154058 0.98 F3 (0.40) F3F10F7PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7152683 0.94 F3 (0.43) F3F10F7F2TMPRSS6
Trifluoroacetic Acid SCHEMBL7153347 0.92 F3 (0.47) F3F10F7F2TMPRSS6
SCHEMBL7153138 0.90 PRSS1 (0.38) F10PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7154637 0.87 F2 (0.40) F3F10F7PRSS1PRSS2
SCHEMBL7152685 0.84 F2 (0.37) F3F10F7PRSS1PRSS2
SCHEMBL7153348 0.82 F10 (0.42) F3F10F7F2TMPRSS6
Trifluoroacetic Acid SCHEMBL7156674 0.82 PRSS1 (0.61) F3F10F7PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7151221 0.81 ST14 (0.62) F10PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7151889 0.80 F2 (0.51) F3PRSS1PRSS2PRSS3ST14

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