Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7154584

N=C(N)c1ccc2cc(Oc3ccc(NS(=O)(=O)c4cccc(Cl)c4)cc3-c3ccccc3C(=O)O)ccc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.44

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.44
TMPRSS6 Q8IU80 2/20 0.44
CCR2 P41597 1/20 0.44
PGR P06401 4/20 0.43
F10 P00742 2/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
PLA2G7 Q13093 1/20 0.39
AKR1C3 P42330 1/20 0.39
F3 P13726 2/20 0.39

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 SCHEMBL7180418 0.93 F2 (0.49) F2TMPRSS6F10PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6295012 0.89 PLA2G7 (0.41) F2TMPRSS6F10PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6294978 0.89 F2 (0.49) F2TMPRSS6F10PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7158713 0.89 F2 (0.48) F2TMPRSS6F10PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7158329 0.88 PLA2G7 (0.42) F2TMPRSS6PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7157101 0.88 PLA2G7 (0.44) F2TMPRSS6F10PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7157714 0.88 PLA2G7 (0.42) F2TMPRSS6CCR2F10PRSS1
Trifluoroacetic Acid SCHEMBL7158686 0.88 F2 (0.45) F2TMPRSS6PGRF10PRSS1
SCHEMBL6377229 0.88 AKR1C3 (0.52) F2TMPRSS6F10PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7154640 0.87 PLA2G7 (0.46) F2TMPRSS6F10PRSS1PRSS2

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