Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7146532

COc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)c(NS(C)(=O)=O)cc1O.O=C(O)C(F)(F)F

nearest known ligand 0.58

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.58
PRSS1 P07477 9/20 0.58
F7 P08709 9/20 0.58
F10 P00742 8/20 0.54
TMPRSS6 Q8IU80 9/20 0.46
PRSS2 P07478 1/20 0.44
F3 P13726 1/20 0.44
PRSS3 P35030 1/20 0.44
ADRB3 P13945 1/20 0.42
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40

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 SCHEMBL7148076 0.91 F2 (0.70) F2PRSS1F7F10TMPRSS6
SCHEMBL7146538 0.89 F2 (0.59) F2PRSS1F7F10TMPRSS6
SCHEMBL7143067 0.88 F2 (0.65) F2PRSS1F7F10TMPRSS6
Acetic Acid SCHEMBL8124396 0.86 F2 (0.63) F2PRSS1F7F10TMPRSS6
SCHEMBL8128137 0.79 F7 (0.66) F2PRSS1F7F10PRSS2
Trifluoroacetic Acid SCHEMBL7146231 0.79 F2 (0.65) F2PRSS1F7F10TMPRSS6
Hydrochloric Acid SCHEMBL8127918 0.79 F2 (0.70) F2PRSS1F7F10PRSS2
Hydrochloric Acid SCHEMBL8127926 0.79 F2 (0.70) F2PRSS1F7F10PRSS2
Hydrochloric Acid SCHEMBL7150362 0.79 F2 (0.70) F2PRSS1F7F10PRSS2
SCHEMBL8124400 0.78 F2 (0.65) F2PRSS1F7F10TMPRSS6

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