SCHEMBL21890926

SCHEMBL21890926

C=C(C)COCSC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL16623959 0.68 GAA (0.35) GAAL3MBTL1
SCHEMBL16623963 0.64 GAA (0.34) GAAL3MBTL1
SCHEMBL16623962 0.61 GAA (0.39) GAAL3MBTL1
SCHEMBL11924844 0.61 GAA (0.45) GAAL3MBTL1
Hydrochloric Acid SCHEMBL5429867 0.59 GAA (0.36) GAAL3MBTL1
SCHEMBL608739 0.59
SCHEMBL11414537 0.58 GAA (0.48) GAAL3MBTL1
SCHEMBL6249676 0.58
SCHEMBL16623960 0.57 GAA (0.34) GAAL3MBTL1
SCHEMBL12259035 0.57 GAA (0.46) GAAL3MBTL1

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-3052481-B1 USE OF POLYMERIZABLE STABLE RADICALS FOR REDUCING THE SHRINKAGE STRESS OF DENTAL COMPOSITIONS DENTSPLY SIRONA INC (US) 2020-04-08 EP disclosed