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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6424568

Cc1cnc(NCC(C)(C)c2ccccc2)c(=O)n1CC(=O)NCCONC(=N)N.O=C(O)C(F)(F)F

nearest known ligand 0.64

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 20/20 0.64
▸ PRSS1 P07477 14/20 0.64
▸ PRSS2 P07478 8/20 0.64
▸ PRSS3 P35030 8/20 0.64
▸ F10 P00742 2/20 0.64
▸ PLAT P00750 1/20 0.64

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 SCHEMBL3242130 0.94 F2 (0.64) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL3244747 0.93 F2 (0.74) F2PRSS1PRSS2PRSS3F10
SCHEMBL3243104 0.90 F2 (0.78) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL4901664 0.90 F2 (0.77) F2PRSS1PRSS2PRSS3F10
SCHEMBL3245552 0.89 F2 (0.64) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL3242113 0.87 F2 (0.63) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL3244903 0.86 F2 (0.70) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL3246518 0.86 F2 (0.62) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6423907 0.85 F2 (0.59) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6424420 0.84 F2 (0.59) F2PRSS1PRSS2PRSS3F10

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-1589029-A2 Pyrazinone protease inhibitors Johnson & Johnson Pharmaceutical Research & Development L.L.C. (US) 2005-10-26 — — EP disclosed