Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3906197

N=C(N)Nc1ccc(C(=O)N[C@@H](COc2cccc(C(=N)N)c2)CC(=O)O)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.75
KLK1 P06870 2/20 0.45
KLK5 Q9Y337 2/20 0.45
PRSS1 P07477 3/20 0.44
TMPRSS15 P98073 1/20 0.44
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
PLAU P00749 1/20 0.42

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
SCHEMBL14132186 0.94 F10 (0.84) F10PRSS1ITGB3ITGA2BPLAU
Trifluoroacetic Acid SCHEMBL3897204 0.93 F10 (0.88) F10PRSS1TMPRSS15ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3902118 0.93 F10 (0.88) F10PRSS1TMPRSS15ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3900545 0.91 F10 (0.81) F10PRSS1TMPRSS15
Trifluoroacetic Acid SCHEMBL3899320 0.90 F10 (0.60) F10KLK1KLK5TMPRSS15ITGB3
Trifluoroacetic Acid SCHEMBL3901863 0.89 F10 (0.78) F10KLK1PRSS1TMPRSS15
Trifluoroacetic Acid SCHEMBL3898447 0.87 F10 (0.74) F10PRSS1TMPRSS15
Trifluoroacetic Acid SCHEMBL3902772 0.87 F10 (0.74) F10TMPRSS15
Trifluoroacetic Acid SCHEMBL5105555 0.87 F10 (0.74) F10TMPRSS15
SCHEMBL3899344 0.87 F10 (1.00) F10PRSS1ITGB3ITGA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed