Malonic Acid Diethyl Ester

Malonic Acid Diethyl Ester

SCHEMBL8399632

CCOC(=O)CC(=O)OCC.Cc1ccc(C)cc1

nearest known ligand 0.71

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.71
MGAM O43451 1/20 0.71
SI P14410 1/20 0.71
MGAM2 Q2M2H8 1/20 0.71
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
CYP2C19 P33261 2/20 0.50
NLRP3 Q96P20 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
DHODH Q02127 1/20 0.50
TSHR P16473 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 2/20 0.46
TRPA1 O75762 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL572 0.86 KMT2A (0.58) GAAMGAMSIMGAM2HSD17B10
Malonic Acid Diethyl Ester SCHEMBL8636 0.84 GAA (1.00) GAAMGAMSIMGAM2HSD17B10
Malonic Acid Diethyl Ester SCHEMBL1331187 0.84 GAA (1.00) GAAMGAMSIMGAM2HSD17B10
Malonic Acid Diethyl Ester SCHEMBL1330550 0.84 GAA (1.00) GAAMGAMSIMGAM2HSD17B10
Malonic Acid Diethyl Ester SCHEMBL1331824 0.84 GAA (1.00) GAAMGAMSIMGAM2HSD17B10
Malonic Acid Diethyl Ester SCHEMBL1864301 0.84 GAA (1.00) GAAMGAMSIMGAM2HSD17B10
Malonic Acid Diethyl Ester SCHEMBL28691891 0.84 GAA (0.56) GAAMGAMSIMGAM2HSD17B10
SCHEMBL7873229 0.82 GAA (0.48) GAAMGAMSIMGAM2HSD17B10
SCHEMBL8142603 0.82 TSHR (0.73) GAAHSD17B10TSHRALDH1A1KMT2A
SCHEMBL15334365 0.82 GAA (0.52) GAAMGAMSIMGAM2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5969046-A USING TERTIARY AMINES AND EPOXIDES AS MAIN ACTIVATOR OF MICHAEL CONDENSATION CURE PROCESS ROHM AND HAAS COMPANY (US) 1999-10-19 US disclosed
EP-0326723-B1 METHOD FOR REACTING TWO COMPONENTS, COMPOSITIONS, COATING COMPOSITIONS AND USES THEREOF ROHM AND HAAS COMPANY (US) 1993-03-24 EP disclosed
EP-0326723-A1 Method for reacting two components, compositions, coating compositions and uses thereof ROHM AND HAAS COMPANY (US) 1989-08-09 EP disclosed