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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2334002

N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4ccncc4)cc3)C2=O)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.88
▸ F2 P00734 4/20 0.75
▸ PLG P00747 1/20 0.64
▸ PROC P04070 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 SCHEMBL2331599 0.94 F10 (0.89) F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL2332446 0.93 F10 (0.88) F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL2331992 0.89 F10 (0.88) F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL1189157 0.89 F10 (0.74) F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL2329734 0.88 F10 (0.90) F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL7425560 0.88 F10 (0.88) F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL7425552 0.88 F10 (0.88) F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL2324863 0.88 F10 (0.89) F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL2328799 0.87 F10 (0.89) F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL2328739 0.86 F10 (0.89) F10F2PLGPROC

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