SCHEMBL6950834

SCHEMBL6950834

COC(=O)C(=O)OC.COC(=O)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TSHR P16473 4/20 0.44
HCAR2 Q8TDS4 2/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
TET2 Q6N021 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
HSD17B10 Q99714 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TGFBR1 P36897 1/20 0.36
KDM4E B2RXH2 1/20 0.33
CA2 P00918 1/20 0.33
PTGS1 P23219 1/20 0.33
MMP12 P39900 1/20 0.33

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
SCHEMBL8295 1.00
SCHEMBL28352291 0.95
SCHEMBL28824476 0.95
SCHEMBL28345369 0.95
SCHEMBL28791576 0.95
Ammonia Solution, Strong SCHEMBL11801654 0.95
Methyl Alcohol SCHEMBL15233825 0.95 ALDH1A1 (0.53) ALDH1A1TSHRHCAR2KEAP1NFE2L2
Bicarbonate SCHEMBL175210 0.91 ALDH1A1 (0.50) ALDH1A1TSHRHCAR2KEAP1NFE2L2
Oxalic Acid SCHEMBL21633322 0.88 ALDH1A1 (0.47) ALDH1A1TSHRHCAR2KEAP1NFE2L2
SCHEMBL31538205 0.88 ALDH1A1 (0.47) ALDH1A1TSHRHCAR2KEAP1NFE2L2

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
CN-209333721-U A kind of system of coal base combined production of methanol ethylene glycol 惠生工程(中国)有限公司 2019-09-03 CN disclosed
CN-106431920-B The method that synthesis gas prepares dimethyl oxalate and by-product dimethyl carbonate 中石化上海工程有限公司 2019-01-11 CN disclosed
CN-108017511-A A kind of method of hydrogenation of dimethyl oxalate to synthesizing ethylene glycol 华东理工大学 2018-05-11 CN disclosed
CN-105478175-B A kind of catalyst regeneration system suitable for synthesis gas preparing ethylene glycol hydrogenation reaction 安徽淮化股份有限公司 2018-01-16 CN disclosed
CN-206219218-U A kind of calcium carbide coproduction glycol unit and system 北京华福工程有限公司 2017-06-06 CN disclosed
CN-106379900-A Device and method for coproducing ethylene glycol by calcium carbide 北京华福工程有限公司 2017-02-08 CN disclosed
EP-1082121-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2003-02-05 EP disclosed
EP-1082121-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2001-03-14 EP disclosed
WO-1999062520-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 WO disclosed