SCHEMBL2185033

SCHEMBL2185033

C=CCC(C(=O)C(C)O)C(O)(CC=C)C(N)=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTT P42858 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
SCHEMBL7590952 0.82 HTT (0.35) HTT
SCHEMBL28430073 0.76 HTT (0.36) HTT
SCHEMBL28339961 0.71 HTT (0.37) HTT
SCHEMBL28339959 0.69 CPT2 (0.42) HTT
SCHEMBL7649445 0.68 HTT (0.33) HTT
SCHEMBL28284078 0.67 HTT (0.34) HTT
SCHEMBL27744627 0.65 USP2 (0.34) HTT
Urea SCHEMBL10685728 0.63 GRIK1 (0.38)
SCHEMBL8668364 0.62
SCHEMBL7106652 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346812-A1 PROCESS FOR MANUFACTURING N,N-DIALKYL LACTAMIDE PURAC Biochem BV (NL) 2011-07-27 EP disclosed
WO-2010037776-A1 PROCESS FOR MANUFACTURING N,N-DIALKYL LACTAMIDE PURAC BIOCHEM BV (NL) 2010-04-08 WO disclosed