Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7401536

CC(CC(=O)O)NC(=O)Cn1ccn(-c2ccc(C(=N)N)cc2)c1=O.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.49
ITGA2B P08514 15/20 0.49
F2 P00734 1/20 0.40
TMPRSS6 Q8IU80 1/20 0.37
KLK1 P06870 1/20 0.36
KLK5 Q9Y337 1/20 0.36
F7 P08709 1/20 0.36

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
SCHEMBL8538055 0.94 ITGB3 (0.54) ITGB3ITGA2BF2F7
Trifluoroacetic Acid SCHEMBL7398703 0.89 ITGB3 (0.39) ITGB3ITGA2BF2
SCHEMBL7401538 0.87 ITGB3 (0.39) ITGB3ITGA2BF2F7
Trifluoroacetic Acid SCHEMBL7403550 0.86 ITGB3 (0.51) ITGB3ITGA2BF2TMPRSS6KLK1
Trifluoroacetic Acid SCHEMBL8538781 0.83 ITGB3 (0.40) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7400268 0.82 ITGB3 (0.47) ITGB3ITGA2BF2TMPRSS6F7
Trifluoroacetic Acid SCHEMBL7396061 0.80 ITGB3 (0.44) ITGB3ITGA2BF2TMPRSS6F7
SCHEMBL8544627 0.80 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL8543639 0.80 ITGB3 (0.57) ITGB3ITGA2BF2
Trifluoroacetic Acid SCHEMBL7399230 0.80 ITGB3 (0.42) 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 6 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-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP claimed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US 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
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed