Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8124199

CCOC(=O)[C@@](C)(NC(=O)NC1CCN(c2ccc(C=NN)cc2)C1=O)NC(=O)OCc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
FPR2 P25090 8/20 0.35
FPR1 P21462 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSK P43235 4/20 0.34
CTSB P07858 3/20 0.34
CTSS P25774 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34

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 SCHEMBL8124196 0.87 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL27439133 0.86 ITGB3 (0.43) ITGB3ITGA2BFPR2FPR1
SCHEMBL8117121 0.83 ITGB3 (0.43) ITGB3ITGA2BFPR2FPR1CTSK
Trifluoroacetic Acid SCHEMBL8123151 0.81 ITGB3 (0.44) ITGB3ITGA2BCTSKCTSBCTSS
SCHEMBL8116538 0.81 ITGB3 (0.46) ITGB3ITGA2BCTSKCTSBCTSS
Trifluoroacetic Acid SCHEMBL7411886 0.79 ITGB3 (0.65) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL7417149 0.78 ITGB3 (0.47) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL7424548 0.78 ITGB3 (0.42) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL7422393 0.78 ITGB3 (0.46) ITGB3ITGA2BFPR2FPR1
SCHEMBL8109889 0.77 ITGB3 (0.45) ITGB3ITGA2BCTSKCTSBCTSS

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-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP disclosed