Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7399230

C=C[C@H](CC(=O)OCC)NC(=O)Cn1ccn(-c2ccc(C(=N)N)cc2)c1=O.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.42
ITGA2B P08514 10/20 0.42
F2 P00734 7/20 0.36
F10 P00742 6/20 0.35
ELANE P08246 1/20 0.35
PRSS1 P07477 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
SCHEMBL9053763 0.94 ITGB3 (0.44) ITGB3ITGA2BF2F10PRSS1
Trifluoroacetic Acid SCHEMBL7403550 0.89 ITGB3 (0.51) ITGB3ITGA2BF2
Trifluoroacetic Acid SCHEMBL7398703 0.89 ITGB3 (0.39) ITGB3ITGA2BF2F10ELANE
SCHEMBL7403554 0.88 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL8544627 0.84 ITGB3 (0.56) ITGB3ITGA2BF10
Trifluoroacetic Acid SCHEMBL8539907 0.82 ITGB3 (0.37) ITGB3ITGA2BF2F10ELANE
Trifluoroacetic Acid SCHEMBL7404770 0.82 ITGB3 (0.47) ITGB3ITGA2BF2
SCHEMBL8538690 0.80 F2 (0.47) ITGB3ITGA2BF2F10PRSS1
Trifluoroacetic Acid SCHEMBL7401536 0.80 ITGB3 (0.49) ITGB3ITGA2BF2
Trifluoroacetic Acid SCHEMBL7397995 0.78 ITGB3 (0.46) ITGB3ITGA2BF2

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
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP claimed
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP disclosed
US-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 US disclosed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US disclosed
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed