Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7422017

C[C@H](CC(=O)O)NC(=O)NC1CCN(c2ccc(C=NN)cc2)C1=O.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
FPR2 P25090 17/20 0.38
FPR1 P21462 10/20 0.38

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
SCHEMBL8116006 0.95 ITGB3 (0.42) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL7417149 0.91 ITGB3 (0.47) ITGB3ITGA2BFPR2FPR1
SCHEMBL7530926 0.84 ITGB3 (0.51) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL7422004 0.84 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL9028600 0.84 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL7422012 0.84 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1
Acetic Acid SCHEMBL7414165 0.84 ITGB3 (0.49) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL7411809 0.83 ITGB3 (0.50) ITGB3ITGA2BFPR2FPR1
SCHEMBL7418405 0.83 FPR2 (0.40) ITGB3ITGA2BFPR2FPR1
SCHEMBL8108552 0.80 ITGB3 (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3034046-B2 2000-04-17 JP 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