Malonic Acid Diethyl Ester

Malonic Acid Diethyl Ester

SCHEMBL6694426

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

nearest known ligand 0.79

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.79
MGAM O43451 2/20 0.79
SI P14410 2/20 0.79
MGAM2 Q2M2H8 2/20 0.79
ALDH1A1 P00352 5/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TRPA1 O75762 1/20 0.50
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 2/20 0.42
SOAT1 P35610 1/20 0.42
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL1331782 0.97
SCHEMBL1331371 0.97
SCHEMBL1331762 0.97
SCHEMBL15500 0.97
SCHEMBL1332259 0.97
SCHEMBL1871576 0.97 GAA (0.74) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1330988 0.97
SCHEMBL1330478 0.97
SCHEMBL25316429 0.95 GAA (0.70) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3802994 0.95 GAA (0.70) 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
US-20040049000-A1 Aqueous coating composition KANSAI PAINT CO., LTD. (JP) 2004-03-11 US disclosed
EP-1331256-A1 AQUEOUS COATING COMPOSITION KANSAI PAINT CO., LTD. (JP) 2003-07-30 EP disclosed