Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3901004

N=C(N)c1cccc(OCCN(Cc2ccccc2)C(=O)c2ccc(OC3CCNCC3)cc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.55
F2 P00734 5/20 0.43
PRSS1 P07477 3/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
PLG P00747 1/20 0.40
C1S P09871 1/20 0.40
HRH1 P35367 1/20 0.40
MAPT P10636 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39

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
SCHEMBL14132205 0.95 F10 (0.60) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL5099097 0.88 F10 (0.63) F10F2MAPT
Trifluoroacetic Acid SCHEMBL3898620 0.87 F10 (0.52) F10F2MAPT
Trifluoroacetic Acid SCHEMBL3895645 0.87 F10 (0.67) F10F2PRSS1PRSS2PRSS3
SCHEMBL14132035 0.83 F10 (0.59) F10F2MAPT
SCHEMBL3898204 0.83 F10 (0.66) F10F2MAPT
Trifluoroacetic Acid SCHEMBL3896028 0.82 F10 (0.68) F10F2PRSS1PRSS2PRSS3
SCHEMBL14132034 0.82 F10 (0.56) F10F2PRSS1PRSS2PRSS3
SCHEMBL14131822 0.81 F10 (0.74) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3906991 0.79 F10 (0.47) F10F2PRSS1HRH1

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