Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9027645

N=C(N)c1ccc(N2CCC(NC(=O)Nc3cccc(CCC(=O)O)c3)C2=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.53
ITGA2B P08514 3/20 0.53
FPR2 P25090 13/20 0.46
FPR1 P21462 8/20 0.46
F10 P00742 3/20 0.45
PRSS1 P07477 2/20 0.45
HPN P05981 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
HGFAC Q04756 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45
F7 P08709 2/20 0.43
F3 P13726 2/20 0.43
F2 P00734 2/20 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 SCHEMBL7418870 1.00 ITGB3 (0.53) ITGB3ITGA2BFPR2FPR1F10
SCHEMBL8116032 0.96 ITGB3 (0.57) ITGB3ITGA2BFPR2FPR1F10
SCHEMBL8116018 0.96 ITGB3 (0.57) ITGB3ITGA2BFPR2FPR1F10
Trifluoroacetic Acid SCHEMBL7422390 0.91 ITGB3 (0.62) ITGB3ITGA2BFPR2FPR1F10
SCHEMBL7418876 0.89 ITGB3 (0.51) ITGB3ITGA2BFPR2FPR1F10
Trifluoroacetic Acid SCHEMBL7414816 0.86 FPR2 (0.44) FPR2FPR1
SCHEMBL8117283 0.85 ITGB3 (0.68) ITGB3ITGA2BFPR2FPR1F10
SCHEMBL8117290 0.85 ITGB3 (0.68) ITGB3ITGA2BFPR2FPR1F10
Trifluoroacetic Acid SCHEMBL7424525 0.84 ITGB3 (0.51) ITGB3ITGA2BFPR2FPR1F7
Trifluoroacetic Acid SCHEMBL7411796 0.82 ITGB3 (0.68) ITGB3ITGA2BFPR2FPR1F7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP claimed
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP disclosed