Malonic Acid Diethyl Ester

Malonic Acid Diethyl Ester

SCHEMBL28023329

CCOC(=O)CC(=O)OCC.CCOC(OCC)OCC

nearest known ligand 0.71

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.71
MGAM O43451 1/20 0.71
SI P14410 1/20 0.71
MGAM2 Q2M2H8 1/20 0.71
THRB P10828 1/20 0.52
ALDH1A1 P00352 4/20 0.46
TRPA1 O75762 1/20 0.46
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 2/20 0.39
SOAT1 P35610 1/20 0.39
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37

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
Malonic Acid Diethyl Ester SCHEMBL1331824 0.84 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1331187 0.84 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL8636 0.84 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1864301 0.84 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1330550 0.84 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL8417856 0.82 GAA (0.94) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL11027431 0.82 GAA (0.94) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1127444 0.82 GAA (0.94) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL4334303 0.82 GAA (0.94) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL3670061 0.82 GAA (0.94) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109738555-A The measuring method of orthoformate content in a kind of orthoformate crude product 河北诚信集团有限公司 2019-05-10 CN disclosed
CN-104860818-A Synthesizing method of diethyl ethoxy-methylene malonate ZHEJIANG NHU CO LTD 2015-08-26 CN disclosed