Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7158302

N=C(N)c1ccc(-c2ccc(Oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)O)cc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.59
ST14 Q9Y5Y6 5/20 0.59
PRSS1 P07477 4/20 0.59
PRSS2 P07478 4/20 0.59
PRSS3 P35030 4/20 0.59
MRGPRX1 Q96LB2 2/20 0.53
F10 P00742 1/20 0.47
PLA2G7 Q13093 2/20 0.45
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MCL1 Q07820 2/20 0.43
BCL2L1 Q07817 1/20 0.43
PLG P00747 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
TMPRSS6 Q8IU80 3/20 0.43

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 SCHEMBL7151221 0.97 ST14 (0.62) F2ST14PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7158701 0.90 F2 (0.53) F2ST14PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7151889 0.89 F2 (0.51) F2ST14PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7150783 0.89 PRSS1 (0.58) F2ST14PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7157181 0.88 F3 (0.50) F2ST14PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7154799 0.86 F10 (0.49) F2MRGPRX1F10F3
Trifluoroacetic Acid SCHEMBL7156674 0.86 PRSS1 (0.61) F2ST14PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7158131 0.83 F2 (0.48) F2ST14PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7154050 0.83 F2 (0.53) F2ST14PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7152732 0.83 F10 (0.47) F2ST14PRSS1PRSS2PRSS3

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