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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1384594

CCC[C@H]1C(=O)N(Cc2ccc3c(N)ncnc3c2)CCN1Cc1cc(-c2ccc(Cl)s2)on1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.39
▸ F2 P00734 1/20 0.34

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
SCHEMBL4060762 0.94 F10 (0.43) F10F2
SCHEMBL4060766 0.94 F10 (0.43) F10F2
Trifluoroacetic Acid SCHEMBL1385007 0.92 F10 (0.38) F10
Trifluoroacetic Acid SCHEMBL1384851 0.91 F10 (0.40) F10
Trifluoroacetic Acid SCHEMBL4061928 0.84 F10 (0.54) F10
SCHEMBL4066600 0.84 F10 (0.45) F10
SCHEMBL4066599 0.84 F10 (0.45) F10
Trifluoroacetic Acid SCHEMBL1385731 0.82 F10 (0.39) F10
Trifluoroacetic Acid SCHEMBL1384992 0.81 F10 (0.41) F10
SCHEMBL1385167 0.81 F10 (0.47) F10

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4829449-B2 — — 2011-12-07 — — JP claimed
EP-1208097-B1 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMA INC (US) 2009-02-18 — — EP claimed
JP-2003508353-A — — 2003-03-04 — — JP claimed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 — — EP claimed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 — — WO claimed
EP-1208097-B1 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMA INC (US) 2009-02-18 — — EP disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 — — EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 — — WO disclosed