Malonic Acid Diethyl Ester

Malonic Acid Diethyl Ester

SCHEMBL6129174

CCOC(=O)CC(=O)OCC.Oc1ccccc1

nearest known ligand 0.60

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.60
MGAM O43451 1/20 0.60
SI P14410 1/20 0.60
MGAM2 Q2M2H8 1/20 0.60
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
KMT2A Q03164 2/20 0.50
PPID Q08752 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MIF P14174 1/20 0.46
ALDH1A1 P00352 3/20 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
Malonic Acid Diethyl Ester SCHEMBL28253516 0.96 GAA (0.56) GAAMGAMSIMGAM2CA12
Phenol SCHEMBL27983651 0.91 GAA (0.49) GAAMGAMSIMGAM2CA12
Ethyl Propionate SCHEMBL6266819 0.88 GAA (0.53) GAACA12CA1CA2CA7
SCHEMBL1557559 0.85 ALDH1A1 (0.61) GAAMGAMSIMGAM2KMT2A
Phenol SCHEMBL28224536 0.85 GAA (0.50) GAACA12CA1CA2CA7
Phenol SCHEMBL27841259 0.85 SMN1; SMN2 (0.53) GAACA12CA1CA2CA7
Phenol SCHEMBL27447861 0.85 KMT2A (0.47) GAACA12CA1CA2CA7
Phenol SCHEMBL5132995 0.83 ALDH1A1 (0.56) GAACA12CA1CA2CA7
Phenol SCHEMBL5675619 0.83 CA12 (0.53) GAACA12CA1CA2CA7
Phenol SCHEMBL28177205 0.83 KMT2A (0.46) GAACA12CA1CA2CA7

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
US-6891012-B2 Powder coatings produced with crosslinkers capable of curing at low temperatures and coated articles produced therefrom BAYER MATERIALSCIENCE LLC (US) 2005-05-10 US disclosed