Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8345456

COC(=O)CC(CCc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccc(C(=N)N)c1.O=C(O)C(F)(F)F

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.90
F2 P00734 17/20 0.90
PRSS1 P07477 13/20 0.90
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
PLG P00747 1/20 0.47
PLAT P00750 1/20 0.47
F7 P08709 1/20 0.47

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 SCHEMBL7458596 0.92 F2 (0.75) F10F2PRSS1
SCHEMBL7458603 0.90 F10 (0.79) F10F2PRSS1
SCHEMBL7363395 0.86 F10 (0.83) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL8345839 0.85 F10 (0.87) F10F2PRSS1
SCHEMBL8343396 0.81 F10 (0.84) F10F2PRSS1
SCHEMBL7454445 0.80 F10 (1.00) F10F2PRSS1
SCHEMBL7457516 0.80 F10 (0.82) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL8343408 0.80 F10 (0.89) F10F2PRSS1
SCHEMBL7367197 0.79 F2 (0.71) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL8347821 0.79 F10 (0.87) F10F2PRSS1

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
US-5942544-A α-branched anilines, toluenes, and analogs thereof as factor Xa inhibitors DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-24 US disclosed