Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3900443

N=C(N)c1ccc(C(=O)N[C@@H](COc2cc(C(=N)N)ccc2CC(=O)C(=O)O)CC(=O)O)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.65
F2 P00734 4/20 0.60
ITGB3 P05106 7/20 0.40
ITGA2B P08514 7/20 0.40
PRSS1 P07477 2/20 0.37
PLG P00747 1/20 0.37
PRSS2 P07478 1/20 0.37
C1S P09871 1/20 0.37
PRSS3 P35030 1/20 0.37
TMPRSS15 P98073 2/20 0.37

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 SCHEMBL3968945 0.96 F10 (0.63) F10F2ITGB3ITGA2BPRSS1
SCHEMBL3894701 0.94 F10 (0.71) F10F2ITGB3ITGA2BPRSS1
Trifluoroacetic Acid SCHEMBL3901682 0.93 F10 (0.61) F10F2ITGB3ITGA2BPRSS1
SCHEMBL3897939 0.91 F10 (0.69) F10F2ITGB3ITGA2BPRSS1
Trifluoroacetic Acid SCHEMBL3912329 0.90 F10 (0.65) F10F2ITGB3ITGA2BPRSS1
Trifluoroacetic Acid SCHEMBL3907403 0.88 F10 (0.61) F10F2ITGB3ITGA2BPRSS1
SCHEMBL3896589 0.86 F10 (0.66) F10F2ITGB3ITGA2BPRSS1
Trifluoroacetic Acid SCHEMBL4680876 0.86 F10 (0.52) F10F2PRSS1TMPRSS15
SCHEMBL3969718 0.85 F10 (0.57) F10F2ITGB3ITGA2BPRSS1
Trifluoroacetic Acid SCHEMBL4687004 0.85 F10 (0.51) F10F2ITGB3ITGA2B

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 2 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