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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7900410

COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccc[n+]2C)cc1.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F

nearest known ligand 0.84

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.84
▸ PRSS1 P07477 18/20 0.84
▸ F2 P00734 6/20 0.69
▸ TMPRSS2 O15393 1/20 0.66
▸ PLG P00747 1/20 0.61

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 SCHEMBL6680558 0.90 F10 (0.89) F10PRSS1F2TMPRSS2PLG
Trifluoroacetic Acid SCHEMBL6641957 0.83 F10 (0.57) F10PRSS1F2TMPRSS2PLG
Trifluoroacetic Acid SCHEMBL6638262 0.82 F10 (0.76) F10PRSS1F2TMPRSS2PLG
Trifluoroacetic Acid SCHEMBL6638259 0.82 F10 (0.76) F10PRSS1F2TMPRSS2PLG
SCHEMBL13160832 0.81 F10 (1.00) F10PRSS1F2TMPRSS2PLG
SCHEMBL15489295 0.81 F10 (1.00) F10PRSS1F2TMPRSS2PLG
Trifluoroacetic Acid SCHEMBL6644526 0.81 F10 (0.73) F10PRSS1F2TMPRSS2PLG
Trifluoroacetic Acid SCHEMBL6644529 0.81 F10 (0.73) F10PRSS1F2TMPRSS2PLG
Trifluoroacetic Acid SCHEMBL7902234 0.80 F10 (0.73) F10PRSS1F2TMPRSS2PLG
Trifluoroacetic Acid SCHEMBL6641247 0.80 F10 (0.73) F10PRSS1F2TMPRSS2PLG

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-6323227-B1 PRODRUGS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-11-27 — — US disclosed