Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3899556

N=C(N)c1cccc(OCCNS(=O)(=O)c2ccc3ccccc3c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.67
TMPRSS6 Q8IU80 7/20 0.64
F10 P00742 3/20 0.55
KAT6A Q92794 2/20 0.54
HRAS P01112 1/20 0.51
KRAS P01116 1/20 0.51
PLG P00747 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
C1S P09871 1/20 0.49
PRSS3 P35030 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 SCHEMBL3898961 0.97 F2 (0.66) F2TMPRSS6F10KAT6APLG
SCHEMBL14132207 0.93 F2 (0.58) F2TMPRSS6F10KAT6AHRAS
Trifluoroacetic Acid SCHEMBL3899650 0.90 F10 (0.59) F2TMPRSS6F10PLG
SCHEMBL14132052 0.90 F2 (0.57) F2TMPRSS6F10KAT6AHRAS
Trifluoroacetic Acid SCHEMBL3910393 0.88 F2 (0.55) F2TMPRSS6F10
Trifluoroacetic Acid SCHEMBL3907682 0.87 F10 (0.53) F2TMPRSS6F10
SCHEMBL3898931 0.82 F10 (0.65) F2F10HRASKRASPLG
SCHEMBL3910394 0.82 F2 (0.52) F2TMPRSS6F10HRASKRAS
SCHEMBL14132042 0.81 F10 (0.61) F2F10HRASKRASPLG
SCHEMBL14132247 0.79 F10 (0.55) F2F10HRASKRASPLG

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