Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3899718

N=C(N)c1ccc(C(=O)NC/C=C/c2cccc(C(=N)N)c2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.53
F2 P00734 9/20 0.51
PRSS1 P07477 6/20 0.51
KLK1 P06870 2/20 0.48
KLK5 Q9Y337 2/20 0.48
TMPRSS6 Q8IU80 6/20 0.46
PLAT P00750 1/20 0.43

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
SCHEMBL14132064 0.92 F10 (0.58) F10F2PRSS1PLAT
Trifluoroacetic Acid SCHEMBL6637824 0.76 F10 (0.88) F10F2PRSS1KLK1KLK5
Trifluoroacetic Acid SCHEMBL7900413 0.74 F10 (0.71) F10F2PRSS1KLK1KLK5
Trifluoroacetic Acid SCHEMBL3895029 0.74 F10 (0.86) F10F2PRSS1KLK1
Trifluoroacetic Acid SCHEMBL3896482 0.74 F10 (0.76) F10F2PRSS1TMPRSS6
Trifluoroacetic Acid SCHEMBL6643271 0.74 F10 (0.73) F10F2PRSS1KLK1KLK5
Trifluoroacetic Acid SCHEMBL3896058 0.73 F10 (0.57) F10F2KLK1KLK5TMPRSS6
Trifluoroacetic Acid SCHEMBL3900211 0.73 F10 (0.80) F10F2PRSS1KLK1
SCHEMBL9542310 0.73 NPC1 (0.56) F10
SCHEMBL9790512 0.73 NPC1 (0.56) F10

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