Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7458596

N=C(N)c1cccc(C(CCc2ccc(NS(=O)(=O)c3ccccc3)cc2)CC(=O)O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.75
F10 P00742 16/20 0.75
PRSS1 P07477 11/20 0.75
TMPRSS6 Q8IU80 3/20 0.48

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
SCHEMBL7363395 0.95 F10 (0.83) F2F10PRSS1TMPRSS6
Trifluoroacetic Acid SCHEMBL8345456 0.92 F10 (0.90) F2F10PRSS1
SCHEMBL7458603 0.88 F10 (0.79) F2F10PRSS1
Trifluoroacetic Acid SCHEMBL7451754 0.86 F10 (0.70) F2F10PRSS1TMPRSS6
Trifluoroacetic Acid SCHEMBL7454337 0.84 F10 (0.74) F2F10PRSS1
Trifluoroacetic Acid SCHEMBL7458607 0.84 F10 (0.53) F2F10PRSS1
Trifluoroacetic Acid SCHEMBL7453855 0.83 F10 (0.76) F2F10PRSS1
Trifluoroacetic Acid SCHEMBL7455024 0.82 F10 (0.73) F2F10PRSS1
Trifluoroacetic Acid SCHEMBL7463837 0.78 F10 (0.67) F2F10PRSS1
Hydrochloric Acid SCHEMBL7361309 0.78 F10 (0.98) F2F10PRSS1

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
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed