Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7148076

COc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)c(NS(C)(=O)=O)cc1OCc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.70
PRSS1 P07477 11/20 0.70
F7 P08709 11/20 0.70
F10 P00742 10/20 0.64
PRSS2 P07478 2/20 0.53
F3 P13726 2/20 0.53
PRSS3 P35030 2/20 0.53
TMPRSS6 Q8IU80 8/20 0.47
MRGPRX1 Q96LB2 1/20 0.46

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 SCHEMBL7146532 0.91 F2 (0.58) F2PRSS1F7F10PRSS2
SCHEMBL7146538 0.90 F2 (0.59) F2PRSS1F7F10PRSS2
Trifluoroacetic Acid SCHEMBL7146231 0.89 F2 (0.65) F2PRSS1F7F10PRSS2
SCHEMBL7142896 0.88 F2 (0.78) F2PRSS1F7F10PRSS2
SCHEMBL7145102 0.88 F2 (0.63) F2PRSS1F7F10PRSS2
SCHEMBL5883418 0.87 F7 (0.68) F2PRSS1F7F10PRSS2
Acetic Acid SCHEMBL8127149 0.87 F2 (0.76) F2PRSS1F7F10PRSS2
SCHEMBL7140785 0.85 F7 (0.73) F2PRSS1F7F10PRSS2
SCHEMBL7140792 0.85 F7 (0.73) F2PRSS1F7F10PRSS2
Acetic Acid SCHEMBL8114466 0.84 F7 (0.72) F2PRSS1F7F10PRSS2

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-0921116-B1 N-(4-carbamimido-phenyl)-glycine amide derivatives HOFFMANN LA ROCHE (CH) 2003-06-18 EP disclosed
US-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 US disclosed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed