SCHEMBL23355259

SCHEMBL23355259

CC1(C)CC(OCC(COC2CC(C)(C)N(O)C(C)(C)C2)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL23355258 0.84 GAA (0.33) GAAL3MBTL1HTT
SCHEMBL26290593 0.81 GAA (0.36) GAAL3MBTL1HTT
SCHEMBL11942298 0.81 GAA (0.32) GAAL3MBTL1HTT
SCHEMBL13328964 0.80 GAA (0.35) GAAL3MBTL1HTT
SCHEMBL18705301 0.78 GAA (0.32) GAAHTT
SCHEMBL26289535 0.78
SCHEMBL2025232 0.77 GAA (0.33) GAAL3MBTL1HTT
SCHEMBL13257061 0.77 GAA (0.33) GAAL3MBTL1HTT
SCHEMBL12347479 0.77
SCHEMBL18601891 0.77

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-3820846-B1 COMPOSITION FOR INHIBITING MONOMER POLYMERIZATION COMPRISING A NITROXIDE INHIBITOR, A QUINONE METHIDE RETARDER AND AN AMINE STABILIZER ECOLAB USA INC (US) 2024-01-03 EP disclosed
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