Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3903088

N=C(N)c1ccc(C(=O)N[C@H](CCC(=O)O)COc2cccc(C(=N)N)c2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.71
F3 P13726 7/20 0.45
F7 P08709 6/20 0.45
TMPRSS15 P98073 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
F2 P00734 2/20 0.42
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
C1S P09871 1/20 0.41
PRSS3 P35030 1/20 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
Trifluoroacetic Acid SCHEMBL3899640 1.00 F10 (0.71) F10F3F7TMPRSS15ITGB3
Trifluoroacetic Acid SCHEMBL3905434 0.96 F10 (0.66) F10F3F7TMPRSS15F2
Trifluoroacetic Acid SCHEMBL3897772 0.95 F10 (0.65) F10F3F7TMPRSS15F2
SCHEMBL14132215 0.94 F10 (0.80) F10F2PLGPRSS1PRSS2
SCHEMBL14132212 0.94 F10 (0.80) F10F2PLGPRSS1PRSS2
Trifluoroacetic Acid SCHEMBL3897204 0.90 F10 (0.88) F10F3F7TMPRSS15ITGB3
Trifluoroacetic Acid SCHEMBL3902118 0.90 F10 (0.88) F10F3F7TMPRSS15ITGB3
Trifluoroacetic Acid SCHEMBL3904269 0.87 F10 (0.70) F10F3F7F2PRSS1
Trifluoroacetic Acid SCHEMBL3904312 0.87 F10 (0.70) F10F3F7F2PRSS1
Trifluoroacetic Acid SCHEMBL3900545 0.86 F10 (0.81) F10F3F7TMPRSS15F2

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