SCHEMBL9106881

SCHEMBL9106881

CC(O)CC(C)(C)OOC(=O)OCC1COC(C)(C)O1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.39
DGAT1 O75907 1/20 0.31
HTR7 P34969 1/20 0.30

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
SCHEMBL9292167 0.82 TMEM97 (0.35) CA2DGAT1HTR7
SCHEMBL14326428 0.79 CA2 (0.43) CA2
SCHEMBL9104370 0.78 ALDH1A1 (0.33)
SCHEMBL9103023 0.78
SCHEMBL6943821 0.77 CA2 (0.56) CA2DGAT1HTR7
SCHEMBL18395904 0.77 CA2 (0.56) CA2DGAT1HTR7
SCHEMBL10441414 0.76 CA2 (0.49) CA2DGAT1HTR7
SCHEMBL13063460 0.76 CA2 (0.51) CA2HTR7
SCHEMBL7042446 0.74 CA2 (0.53) CA2DGAT1HTR7
SCHEMBL18286659 0.74 CA2 (0.43) CA2DGAT1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304649-A Curing agent for unsaturated polyesters ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-04-19 US claimed
US-5451654-A Addition polymerization catalyst ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-09-19 US disclosed
US-5387654-A Hydroxy-peroxides and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-02-07 US disclosed
EP-0381135-B1 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA (US) 1994-06-01 EP disclosed
US-5304649-A Curing agent for unsaturated polyesters ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-04-19 US disclosed
EP-0381135-A2 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA, INC. (US) 1990-08-08 EP disclosed