Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7997619

N=C(N)c1ccc(CN2CCN(C(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)CC2=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.52

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 16/20 0.52
F10 P00742 13/20 0.52
F2 P00734 7/20 0.50
PRSS2 P07478 7/20 0.50
PRSS3 P35030 7/20 0.50

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 SCHEMBL7997792 0.92 PRSS1 (0.52) PRSS1F10F2PRSS2PRSS3
SCHEMBL7996082 0.84 GPR119 (0.42) PRSS1F10
SCHEMBL7999929 0.82 HRH3 (0.52) PRSS1F10F2
SCHEMBL7999734 0.77 F10 (0.39) PRSS1F10F2
SCHEMBL7987038 0.73 F10 (0.54) PRSS1F10F2PRSS2PRSS3
SCHEMBL7997696 0.73 F10 (0.44) PRSS1F10
SCHEMBL7996357 0.73 NPC1 (0.54) PRSS1F10F2PRSS2PRSS3
SCHEMBL7986762 0.69 F10 (0.55) PRSS1F10F2PRSS2PRSS3
SCHEMBL7986862 0.69 F10 (0.57) PRSS1F10F2
SCHEMBL4387744 0.69 F2 (0.48) PRSS1F10F2PRSS2PRSS3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO disclosed