Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7500215

CC(N)C(=O)O.N[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OCc3ccccc3)CC2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.54

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.54
ITGA2B P08514 20/20 0.54
F2R P25116 6/20 0.50

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 SCHEMBL7747734 0.96 ITGB3 (0.58) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7500212 0.88 ITGB3 (0.60) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7500062 0.86 ITGB3 (0.54) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7500528 0.85 ITGB3 (0.52) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7747731 0.84 ITGB3 (0.63) ITGB3ITGA2BF2R
SCHEMBL7504167 0.84 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL7504103 0.83 ITGB3 (0.58) ITGB3ITGA2BF2R
SCHEMBL7446989 0.83 ITGB3 (0.58) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7501759 0.82 KMT2A (0.52) ITGB3ITGA2BF2R
SCHEMBL7505294 0.82 ITGB3 (0.56) ITGB3ITGA2BF2R

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
US-6380215-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS FORMATION SUCH AS ARTERIAL THROMBOSIS, ARTERIAL SCLEROSIS, ISCHEMIC HEART DISEASES FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2002-04-30 US disclosed