SCHEMBL9106316

SCHEMBL9106316

CC1(C)OCC(OC(=O)CCC(=O)Cl)CO1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TP53 P04637 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
SCHEMBL9107126 0.78 TSHR (0.32) TSHR
SCHEMBL9107078 0.77 NAAA (0.32) NAAAALDH1A1TSHR
SCHEMBL17854809 0.74 NAAA (0.44) NAAATSHR
SCHEMBL10293021 0.74 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL10292599 0.73 TSHR (0.38) ALDH1A1TSHRTP53
SCHEMBL5590761 0.72 HTR7 (0.31) TP53
SCHEMBL17854780 0.72 CA2 (0.43) ALDH1A1
SCHEMBL9106303 0.72 CA2 (0.47) ALDH1A1
SCHEMBL10293019 0.70 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL11512076 0.69 NAAA (0.56) NAAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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