SCHEMBL4635906

SCHEMBL4635906

CCCCCC(C)(CCCCC)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 9/20 0.43
SMPD1 P17405 2/20 0.42
CES2 O00748 1/20 0.42
GGPS1 O95749 5/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL4661052 0.98 FDPS (0.45) FDPSSMPD1CES2GGPS1
SCHEMBL4658597 0.98 FDPS (0.45) FDPSSMPD1CES2GGPS1
SCHEMBL20049911 0.98 FDPS (0.45) FDPSSMPD1CES2GGPS1
SCHEMBL4636202 0.98 FDPS (0.45) FDPSSMPD1CES2GGPS1
SCHEMBL20746506 0.98 FDPS (0.45) FDPSSMPD1CES2GGPS1
SCHEMBL20746314 0.98 FDPS (0.45) FDPSSMPD1CES2GGPS1
SCHEMBL20746312 0.98 FDPS (0.45) FDPSSMPD1CES2GGPS1
SCHEMBL20746396 0.98 FDPS (0.45) FDPSSMPD1CES2GGPS1
SCHEMBL20746483 0.98 FDPS (0.45) FDPSSMPD1CES2GGPS1
SCHEMBL14874694 0.98 FDPS (0.45) FDPSSMPD1CES2GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001830-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2008-12-17 EP disclosed
EP-1931471-A1 IMPROVED CATALYST SYSTEM Lucite International UK Limited (GB) 2008-06-18 EP disclosed
WO-2007112505-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2007-10-11 WO disclosed
WO-2007020379-A1 IMPROVED CATALYST SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2007-02-22 WO disclosed