SCHEMBL7756876

SCHEMBL7756876

COC(C)(C)OOC(C)(C)CCO

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL28320588 0.79
SCHEMBL8613416 0.77 TSHR (0.44) TSHRTDP1
SCHEMBL64765 0.76
SCHEMBL8614972 0.75 TSHR (0.39) ALDH1A1TSHRTDP1
Methoxymethane SCHEMBL1476203 0.74 ALDH1A1 (0.43) ALDH1A1TSHRTDP1
SCHEMBL2591293 0.74
Water SCHEMBL27934281 0.74 ALDH1A1 (0.43) ALDH1A1TSHRTDP1
Ethylene Glycol SCHEMBL28232976 0.74 ALDH1A1 (0.43) ALDH1A1TSHRTDP1
SCHEMBL27319909 0.72 ALDH1A1 (0.46) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850927-B1 Novel oxalic acid peroxide compositions and their uses ATOFINA CHEM INC (US) 2001-03-14 EP disclosed
US-5866712-A POLYMERIZATION AND CURING CATALYSTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-02-02 US disclosed
EP-0850927-A1 Novel oxalic acid peroxide compositions and uses 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