Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3968459

N=C(N)c1cccc(OCCNC(=O)C2CCN(Cc3ccccc3)CC2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.62
CHRM2 P08172 2/20 0.54
CHRM1 P11229 1/20 0.54
CHRM4 P08173 5/20 0.51
HPN P05981 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
HGFAC Q04756 1/20 0.49
ST14 Q9Y5Y6 1/20 0.49
CCR8 P51685 1/20 0.49
OPRK1 P41145 1/20 0.49

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
SCHEMBL14132161 0.96 F10 (0.67) F10CHRM2CHRM1CHRM4HPN
Trifluoroacetic Acid SCHEMBL3974775 0.88 F10 (0.64) F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3902693 0.86 F10 (0.64) F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3968850 0.85 F10 (0.61) F10PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL3970578 0.85 F10 (0.61) F10PRSS1
Trifluoroacetic Acid SCHEMBL3910396 0.83 F10 (0.61) F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3973028 0.83 F10 (0.90) F10
SCHEMBL14131982 0.83 F10 (0.69) F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3898005 0.82 F10 (0.58) F10PRSS1PRSS2PRSS3
SCHEMBL3971725 0.80 CHRM4 (0.65) CHRM2CHRM1CHRM4CCR8

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