SCHEMBL28705124

SCHEMBL28705124

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.34
HIF1A Q16665 2/20 0.32
ESR1 P03372 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
WRN Q14191 1/20 0.31
ALOX15 P16050 1/20 0.30
TRPA1 O75762 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
SCHEMBL5427965 0.88 ALDH1A1 (0.36) ALDH1A1MGAMGAASIMGAM2
SCHEMBL4512917 0.87 ESR1 (0.34) NAAAHIF1AESR1ALDH1A1MGAM
SCHEMBL22775212 0.83 MMP1 (0.38) ALDH1A1
SCHEMBL22774691 0.83 ALDH1A1 (0.44) ALDH1A1ALOX15
SCHEMBL7924470 0.81 POLB (0.33) ALDH1A1
SCHEMBL22773966 0.81 NAAA (0.37) NAAAHIF1AESR1ALDH1A1MGAM
SCHEMBL11792511 0.81 NAAA (0.37) NAAAHIF1AESR1ALDH1A1MGAM
SCHEMBL28704623 0.79 MAPT (0.44) ALDH1A1
SCHEMBL11746994 0.79 ALDH1A1 (0.40) ALDH1A1BLM
SCHEMBL29578296 0.78 LMNA (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008019-B Method for producing diacyl peroxide 诺力昂化学品国际有限公司 2023-09-15 CN disclosed
EP-3983369-A1 PROCESS FOR THE PRODUCTION OF DIACYL PEROXIDES Nouryon Chemicals International B.V. (NL) 2022-04-20 EP disclosed
CN-114008019-A Process for the production of diacyl peroxides 诺力昂化学品国际有限公司 2022-02-01 CN disclosed