Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3899583

N=C(N)c1cccc(OCCCNC(=O)c2cccc(C(=N)N)c2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.74

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.74
PRSS1 P07477 10/20 0.58
PLG P00747 2/20 0.57
F2 P00734 2/20 0.57
PRSS2 P07478 1/20 0.57
C1S P09871 1/20 0.57
PRSS3 P35030 1/20 0.57
PROC P04070 1/20 0.55
KLK1 P06870 1/20 0.55
F3 P13726 1/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MCHR1 Q99705 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
Trifluoroacetic Acid SCHEMBL3912344 0.97 F10 (0.80) F10PRSS1PLGF2PRSS2
Trifluoroacetic Acid SCHEMBL3900211 0.94 F10 (0.80) F10PRSS1PLGF2PRSS2
SCHEMBL14132308 0.93 F10 (0.81) F10PRSS1PLGF2PRSS2
Trifluoroacetic Acid SCHEMBL3899547 0.91 F10 (0.72) F10PRSS1PLGF2PRSS2
Trifluoroacetic Acid SCHEMBL3899219 0.91 F10 (0.62) F10PRSS1PLGF2PRSS2
Trifluoroacetic Acid SCHEMBL3895029 0.91 F10 (0.86) F10PRSS1PLGF2PRSS2
Trifluoroacetic Acid SCHEMBL3905809 0.91 F10 (0.71) F10PRSS1PLGF2PRSS2
SCHEMBL14132036 0.89 F10 (0.88) F10PRSS1PLGF2PRSS2
Trifluoroacetic Acid SCHEMBL3903060 0.89 F10 (0.79) F10PRSS1PLGF2PRSS2
Trifluoroacetic Acid SCHEMBL3903054 0.88 F10 (0.77) F10PRSS1PLGF2PRSS2

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