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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2329602

N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4oc5ccccc5c4c3)C2=O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.66

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.66
▸ PLG P00747 1/20 0.65
▸ PROC P04070 1/20 0.65
▸ F2 P00734 7/20 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 SCHEMBL1188533 0.86 F10 (0.87) F10PLGPROCF2
Trifluoroacetic Acid SCHEMBL2331599 0.86 F10 (0.89) F10PLGPROCF2
Trifluoroacetic Acid SCHEMBL2327044 0.85 F10 (0.65) F10PLGPROCF2
Trifluoroacetic Acid SCHEMBL1189157 0.85 F10 (0.74) F10PLGPROCF2
Trifluoroacetic Acid SCHEMBL2328799 0.84 F10 (0.89) F10PLGPROCF2
Trifluoroacetic Acid SCHEMBL2332427 0.84 F10 (0.87) F10PLGPROCF2
Trifluoroacetic Acid SCHEMBL2329087 0.84 F10 (0.70) F10PLGPROCF2
Trifluoroacetic Acid SCHEMBL2332372 0.83 F10 (0.88) F10PLGPROCF2
Trifluoroacetic Acid SCHEMBL2326837 0.83 F10 (0.77) F10PLGPROCF2
Trifluoroacetic Acid SCHEMBL2326536 0.83 F10 (0.72) F10PLGPROCF2

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-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 — — EP disclosed