SCHEMBL23355258

SCHEMBL23355258

CC(COC1CC(C)(C)N(O)C(C)(C)C1)OC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL13257061 0.86 GAA (0.33) GAAL3MBTL1HTT
SCHEMBL23355259 0.84 GAA (0.34) GAAL3MBTL1HTT
SCHEMBL3434546 0.82 GAA (0.35) GAAL3MBTL1HTT
SCHEMBL13328964 0.82 GAA (0.35) GAAL3MBTL1HTT
SCHEMBL26290593 0.80 GAA (0.36) GAAL3MBTL1HTT
SCHEMBL13257063 0.78 GAA (0.32) GAAL3MBTL1HTT
SCHEMBL7631028 0.77 GAA (0.40) GAAL3MBTL1HTT
SCHEMBL2025232 0.76 GAA (0.33) GAAL3MBTL1HTT
SCHEMBL1401806 0.76 GAA (0.39) GAAL3MBTL1HTT
SCHEMBL2969280 0.76 GAA (0.31) GAAL3MBTL1HTT

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-3820846-A1 COMPOSITION FOR INHIBITING MONOMER POLYMERIZATION COMPRISING A NITROXIDE INHIBITOR, A QUINONE METHIDE RETARDER AND AN AMINE STABILIZER Ecolab USA, Inc. (US) 2021-05-19 EP disclosed