Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1384992

CC1C(=O)N(Cc2ccc3c(N)ncnc3c2)CCN1Cc1cc(-c2ccc(Cl)s2)no1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.41
DGAT1 O75907 1/20 0.32
PDPK1 O15530 1/20 0.31

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
SCHEMBL4065702 0.94 F10 (0.46) F10DGAT1
Trifluoroacetic Acid SCHEMBL1385731 0.90 F10 (0.39) F10DGAT1
Trifluoroacetic Acid SCHEMBL1384851 0.90 F10 (0.40) F10
Trifluoroacetic Acid SCHEMBL4061423 0.87 F10 (0.55) F10DGAT1PDPK1
Trifluoroacetic Acid SCHEMBL1386920 0.86 F10 (0.43) F10DGAT1PDPK1
SCHEMBL4066599 0.83 F10 (0.45) F10
SCHEMBL4066600 0.83 F10 (0.45) F10
SCHEMBL4390612 0.82 F10 (0.47) F10DGAT1PDPK1
Trifluoroacetic Acid SCHEMBL1384594 0.81 F10 (0.39) F10
Trifluoroacetic Acid SCHEMBL1385007 0.80 F10 (0.38) 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