Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7405136

N=C(N)c1ccc(-n2ccn(CCC(=O)NCCC(=O)O)c2=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.49
ITGA2B P08514 14/20 0.49
ITGB2 P05107 1/20 0.47
ITGAM P11215 1/20 0.47
F2 P00734 4/20 0.43
TMPRSS6 Q8IU80 3/20 0.43
F7 P08709 2/20 0.41
F3 P13726 2/20 0.41

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
SCHEMBL7400534 0.94 ITGB3 (0.55) ITGB3ITGA2BITGB2ITGAM
Trifluoroacetic Acid SCHEMBL7400268 0.91 ITGB3 (0.47) ITGB3ITGA2BITGB2ITGAMF2
Trifluoroacetic Acid SCHEMBL7397995 0.88 ITGB3 (0.46) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL7405139 0.87 ITGB3 (0.39) ITGB3ITGA2BITGB2ITGAMF2
Trifluoroacetic Acid SCHEMBL7396061 0.85 ITGB3 (0.44) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL7395044 0.84 ITGB3 (0.53) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7404093 0.83 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7396412 0.80 ITGB3 (0.51) ITGB3ITGA2BF2
Trifluoroacetic Acid SCHEMBL7404770 0.80 ITGB3 (0.47) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL7273726 0.80 ITGB3 (0.46) ITGB3ITGA2B

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
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
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO claimed