SCHEMBL9107078

SCHEMBL9107078

O=C(Cl)CCC(=O)OC1COCOC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL10397349 0.79
SCHEMBL9106316 0.77 NAAA (0.33) NAAAALDH1A1TSHR
SCHEMBL9103020 0.76
SCHEMBL28825122 0.75 NAAA (0.34) NAAAALDH1A1
SCHEMBL11512076 0.73 NAAA (0.56) NAAAALDH1A1TSHR
SCHEMBL7693730 0.71 NAAA (0.34) NAAA
SCHEMBL7687519 0.71 NAAA (0.46) NAAAALDH1A1
SCHEMBL6941234 0.71 EPHX1 (0.31)
SCHEMBL15705779 0.70 BCHE (0.44) ALDH1A1
SCHEMBL15705859 0.70 BCHE (0.44) ALDH1A1

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 4 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