Malonic Acid Diethyl Ester

Malonic Acid Diethyl Ester

SCHEMBL28237180

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

nearest known ligand 0.65

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
MGAM O43451 1/20 0.65
SI P14410 1/20 0.65
MGAM2 Q2M2H8 1/20 0.65
ALDH1A1 P00352 4/20 0.43
TRPA1 O75762 1/20 0.43
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SOAT1 P35610 1/20 0.36

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 SCHEMBL28237104 0.86 GAA (0.79) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL11237858 0.84 GAA (0.75) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28236014 0.83 TSHR (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18120823 0.82 MGAM (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10289814 0.82 MGAM (0.50) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL28236126 0.82 GAA (0.71) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL8636 0.81 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1864301 0.81 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1330550 0.81 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1331824 0.81 GAA (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473612-A The manufacturing method of solid catalyst component for olefin polymerization, polymerization of olefines catalyst and olefin polymer 东邦钛株式会社 2018-08-31 CN disclosed