Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3900545

N=C(N)c1cccc(OC[C@@H](CC(=O)O)NC(=O)c2ccc(C(N)=O)cc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.81
TMPRSS15 P98073 1/20 0.47
F3 P13726 4/20 0.43
F7 P08709 3/20 0.43
F2 P00734 3/20 0.42
PRSS1 P07477 4/20 0.42
PLG P00747 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 SCHEMBL3902118 0.96 F10 (0.88) F10TMPRSS15F3F7F2
Trifluoroacetic Acid SCHEMBL3897204 0.96 F10 (0.88) F10TMPRSS15F3F7F2
SCHEMBL14131786 0.94 F10 (0.92) F10F2PRSS1PLGPRSS2
Trifluoroacetic Acid SCHEMBL3901863 0.93 F10 (0.78) F10TMPRSS15F3F7F2
Trifluoroacetic Acid SCHEMBL3906197 0.91 F10 (0.75) F10TMPRSS15PRSS1
Trifluoroacetic Acid SCHEMBL3905434 0.91 F10 (0.66) F10TMPRSS15F3F7F2
Trifluoroacetic Acid SCHEMBL5105555 0.90 F10 (0.74) F10TMPRSS15F3F7F2
Trifluoroacetic Acid SCHEMBL3898447 0.90 F10 (0.74) F10TMPRSS15F3F7F2
Trifluoroacetic Acid SCHEMBL3902772 0.90 F10 (0.74) F10TMPRSS15F3F7F2
SCHEMBL3898935 0.90 F10 (1.00) F10F2PRSS1PLGPRSS2

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