Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3898545

N=C(N)c1cccc(OCCNC(=O)c2ccc(NC3=NCCN3)cc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.60

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.60
PRSS1 P07477 3/20 0.51
F12 P00748 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
KLK1 P06870 2/20 0.49
PLG P00747 1/20 0.49
PROC P04070 1/20 0.49
F2 P00734 4/20 0.48
C1R P00736 1/20 0.48
KLKB1 P03952 1/20 0.48
F3 P13726 3/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
PTGIR P43119 1/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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 SCHEMBL3900462 0.88 ADRA2A (0.43) F10ADRA2AADRA2BADRA2CPTGIR
Trifluoroacetic Acid SCHEMBL3898866 0.87 F10 (0.62) F10PRSS1PRSS2PRSS3KLK1
Trifluoroacetic Acid SCHEMBL3905955 0.85 F10 (0.67) F10PRSS1PRSS2PRSS3KLK1
Trifluoroacetic Acid SCHEMBL3895029 0.83 F10 (0.86) F10PRSS1PRSS2PRSS3KLK1
Trifluoroacetic Acid SCHEMBL3898231 0.82 F10 (0.60) F10PRSS1PRSS2PRSS3KLK1
Trifluoroacetic Acid SCHEMBL3909154 0.81 F10 (0.72) F10PRSS1PRSS2PRSS3KLK1
Trifluoroacetic Acid SCHEMBL3903060 0.81 F10 (0.79) F10PRSS1PRSS2PRSS3KLK1
SCHEMBL14132002 0.81 F10 (0.69) F10PRSS1KLK1PLGPROC
Trifluoroacetic Acid SCHEMBL3903054 0.80 F10 (0.77) F10PRSS1PRSS2PRSS3KLK1
Trifluoroacetic Acid SCHEMBL3911547 0.80 F10 (0.77) F10PRSS1PRSS2PRSS3KLK1

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