Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7158686

COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc4cc(C(=N)N)ccc4c3)c(-c3ccccc3C(=O)O)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.45
PLA2G7 Q13093 3/20 0.44
ALDH1A1 P00352 1/20 0.44
F3 P13726 2/20 0.43
F10 P00742 1/20 0.42
F7 P08709 1/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
TMPRSS6 Q8IU80 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PGR P06401 1/20 0.40
MCL1 Q07820 1/20 0.40

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 SCHEMBL6294978 0.95 F2 (0.49) F2PLA2G7ALDH1A1F3F10
Trifluoroacetic Acid SCHEMBL7157101 0.94 PLA2G7 (0.44) F2PLA2G7F3F10F7
Trifluoroacetic Acid SCHEMBL7152762 0.94 ALDH1A1 (0.47) F2ALDH1A1PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7154778 0.93 PLA2G7 (0.46) F2PLA2G7ALDH1A1F3F10
Trifluoroacetic Acid SCHEMBL7158713 0.93 F2 (0.48) F2PLA2G7ALDH1A1F3F10
Trifluoroacetic Acid SCHEMBL7154640 0.93 PLA2G7 (0.46) F2PLA2G7ALDH1A1F3F10
Trifluoroacetic Acid SCHEMBL7154045 0.93 PLA2G7 (0.43) F2PLA2G7ALDH1A1F3F10
Trifluoroacetic Acid SCHEMBL7156270 0.93 PLA2G7 (0.55) F2PLA2G7F10TMPRSS6
Trifluoroacetic Acid SCHEMBL7157714 0.92 PLA2G7 (0.42) F2PLA2G7F10PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7158329 0.92 PLA2G7 (0.42) F2PLA2G7PRSS1PRSS2PRSS3

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