Malonic Acid Diethyl Ester

Malonic Acid Diethyl Ester

SCHEMBL28236019

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

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
MGAM O43451 1/20 0.60
SI P14410 1/20 0.60
MGAM2 Q2M2H8 1/20 0.60
ALDH1A1 P00352 4/20 0.40
TRPA1 O75762 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 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
Malonic Acid Diethyl Ester SCHEMBL28236126 0.87 GAA (0.71) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28949367 0.86 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28236012 0.85 TSHR (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12561075 0.81 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL22677569 0.81 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4192342 0.81 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4192337 0.81 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL11237858 0.81 GAA (0.75) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5001444 0.79 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7952798 0.79 MGAM (0.46) 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