SCHEMBL8614972

SCHEMBL8614972

CCC(C)(C)OOC(C)(C)CCO

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8043487 0.89 ALDH1A1 (0.32) ALDH1A1
Hydrogen Peroxide SCHEMBL10676016 0.83 TSHR (0.43) TSHRALDH1A1TDP1
SCHEMBL23662 0.83 TSHR (0.47) TSHRALDH1A1TDP1
SCHEMBL8613416 0.81 TSHR (0.44) TSHRTDP1
Methyl Alcohol SCHEMBL8027284 0.80 TSHR (0.50) TSHRALDH1A1TDP1
SCHEMBL22437 0.80 TSHR (0.56) TSHRALDH1A1TDP1
SCHEMBL10521475 0.78 TSHR (0.43) TSHRALDH1A1TDP1
SCHEMBL5356787 0.78 TSHR (0.43) TSHRALDH1A1TDP1
SCHEMBL5544379 0.77 TSHR (0.44) TSHRALDH1A1TDP1
SCHEMBL9015598 0.77 TSHR (0.39) TSHRALDH1A1TDP1

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
EP-0667339-B1 Novel unsaturated peroxides, polymeric peroxides derived therefrom and their uses ATOCHEM NORTH AMERICA ELF (US) 1998-05-06 EP disclosed
US-5494988-A FREE RADICAL INITIATORS AS MONOMERS; CROSSLINKING UNSATURATED POLYESTERS; ADDITION, GRAFT AND BLOCK POLYMERIZATION; COMPATIBILIZING BLENDS ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-02-27 US disclosed
US-5489699-A USED AS FREE RADICAL GENERATOR, POLYMERIZING ETHYNICALLY UNSATURATED MONOMERS, CURING AGENT, RHEOLOGICAL MODIFIER,AND FOR GRAFTING AND COMPATIBILIZING POLYMER BLEND ELFATOCHEM NORTH AMERICA, INC. (US) 1996-02-06 US disclosed
US-5475072-A Curing; crosslinking; modifiying; grafting; compatibilizing ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-12-12 US disclosed
EP-0667339-A1 Novel unsaturated peroxides, polymeric derived therefrom and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-08-16 EP disclosed