Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7411809

NN=Cc1ccc(N2CCC(NC(=O)NCCC(=O)O)C2=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
FPR2 P25090 17/20 0.40
FPR1 P21462 11/20 0.39
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA5 P08648 1/20 0.35

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
SCHEMBL7413115 0.94 ITGB3 (0.55) ITGB3ITGA2BFPR2FPR1HDAC1
Acetic Acid SCHEMBL7418347 0.92 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1HDAC1
Trifluoroacetic Acid SCHEMBL7411886 0.90 ITGB3 (0.65) ITGB3ITGA2BFPR2FPR1
SCHEMBL7446276 0.85 ITGB3 (0.52) ITGB3ITGA2BFPR2FPR1HDAC1
Trifluoroacetic Acid SCHEMBL7411796 0.83 ITGB3 (0.68) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL7448806 0.83 ITGB3 (0.68) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL7422017 0.83 ITGB3 (0.39) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL7414816 0.83 FPR2 (0.44) FPR2FPR1
SCHEMBL7415142 0.83 ITGB3 (0.73) ITGB3ITGA2BFPR2FPR1HDAC1
Acetic Acid SCHEMBL7417478 0.82 ITGB3 (0.69) ITGB3ITGA2BFPR2FPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3034046-B2 2000-04-17 JP claimed
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP claimed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO claimed
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP disclosed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed