SCHEMBL83061

SCHEMBL83061

CC(=O)OOC(C)(C)CCC(C)(C)OOC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 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
SCHEMBL9820415 0.88 GAA (0.37) GAAALDH1A1HSD17B10LMNA
SCHEMBL217180 0.82 ALDH1A1 (0.38) GAAALDH1A1HSD17B10LMNATSHR
SCHEMBL11780089 0.81 CES2 (0.40) ALDH1A1
SCHEMBL3678704 0.80 GAA (0.33) GAA
SCHEMBL19118373 0.78 ALDH1A1 (0.33) GAAALDH1A1
SCHEMBL83461 0.77 ELANE (0.32) GAA
SCHEMBL8618373 0.77 GAA (0.31) GAA
Trimethylammonium SCHEMBL27614440 0.77 ALDH1A1 (0.33) GAAALDH1A1HSD17B10LMNATSHR
SCHEMBL7928598 0.75 TSHR (0.41) ALDH1A1HSD17B10TSHRTDP1
SCHEMBL6930762 0.75 ALDH1A1 (0.33) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3143902-A None JP disclosed
EP-1910283-B1 REACTOR FOR PRODUCING ORGANIC PEROXIDES VIA THE INTERMEDIATE OF A SOLID HYDROPEROXIDE EVONIK DEGUSSA GMBH (DE) 2013-06-26 EP disclosed
US-8128886-B2 Reactor for preparing organic peroxides via the intermediate of a solid hydroperoxide UNITED INITIATORS GMBH & CO. KG (DE) 2012-03-06 US disclosed
US-20090187048-A1 Reactor for Preparing Organic Peroxides Via the Intermediate of a Solid Hydroperoxide UNITED INITIATORS GMBH (DE) 2009-07-23 US disclosed
EP-0850929-B1 Novel bis(mono- and diperoxy-oxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates ATOFINA CHEM INC (US) 2001-06-27 EP disclosed
WO-2000068192-A2 PROCESS FOR THE PREPARATION OF (DI)ALKYLPEROXY ESTERS OF (DI)CARBOXYLIC ACIDS AKZO NOBEL N.V. (NL) 2000-11-16 WO disclosed
US-5837782-A POLYMERIZATION CATALYST ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-11-17 US disclosed
EP-0850929-A1 Novel bis(mono- and diperoxy-oxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed
JP-H03143902-A POLYMERIZATION OF VINYL MONOMER NIPPON OIL & FATS CO LTD 1991-06-19 JP disclosed