SCHEMBL7787918

SCHEMBL7787918

CC(C)(C)OOOC(=O)CCO

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
VCAM1 P19320 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
SCHEMBL8032017 0.89 TSHR (0.38) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL11605978 0.86 TSHR (0.36) ALDH1A1TSHRHSD17B10TDP1VCAM1
SCHEMBL1845580 0.84 TSHR (0.37) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL8031597 0.84 TSHR (0.42) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL6661053 0.84 TDP1 (0.40) TSHRTDP1VCAM1
SCHEMBL1537758 0.83 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL679714 0.83 DGKA (0.38) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL491916 0.83 DGKA (0.38) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL2027985 0.81 EGLN1 (0.42) ALDH1A1TSHRHSD17B10TDP1VCAM1
SCHEMBL442266 0.81 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850928-B1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ATOFINA CHEM INC (US) 2001-10-31 EP disclosed
US-5981787-A INITIATORS FOR POLYMERIZING ETHYLENICALLY UNSATURATED MONOMERS AND FOR CURING OF UNSATURATED POLYESTER RESINS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-11-09 US disclosed
EP-0850928-A1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed
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
US-4072810-A FREE RADICAL CROSSLINKING OF UNSATURATED POLYMERS AND POLYMERIZATION CATALYSTS PENNWALT CORPORATION (US) 1978-02-07 US disclosed
US-3965145-A FREE RADICALS PENNWALT CORPORATION (US) 1976-06-22 US disclosed
US-3963673-A Polymer crosslinking with coupled peroxides PENNWALT CORPORATION (US) 1976-06-15 US disclosed