Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7155335

N=C(N)c1cccc(Oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2C(=O)O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.56

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.56
TMPRSS6 Q8IU80 1/20 0.56
F3 P13726 15/20 0.54
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
AKR1C3 P42330 1/20 0.51
F7 P08709 3/20 0.50
F10 P00742 2/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
ST14 Q9Y5Y6 1/20 0.50

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 SCHEMBL7150780 0.93 PRSS1 (0.55) F2TMPRSS6F3MEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL7156674 0.91 PRSS1 (0.61) F2TMPRSS6F3MEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL7157181 0.90 F3 (0.50) F2F3F7F10PRSS1
Trifluoroacetic Acid SCHEMBL7150783 0.89 PRSS1 (0.58) F2TMPRSS6F3MEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL7154700 0.88 ALDH1A1 (0.58) F2F3ALDH1A1F7F10
Trifluoroacetic Acid SCHEMBL7157233 0.86 PRSS1 (0.55) F2TMPRSS6F3MEN1ALDH1A1
SCHEMBL6295991 0.86 PRSS1 (0.68) F2TMPRSS6MEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL7151193 0.85 PRSS1 (0.51) F2TMPRSS6F3MEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL7158701 0.84 F2 (0.53) F2F3MEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL7150667 0.83 PGR (0.48) F2TMPRSS6F3ALDH1A1F7

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