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Malonic Acid Diethyl Ester

Malonic Acid Diethyl Ester

SCHEMBL28071997

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

nearest known ligand 0.68

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.68
▸ MGAM O43451 2/20 0.68
▸ SI P14410 2/20 0.68
▸ MGAM2 Q2M2H8 2/20 0.68
▸ ALDH1A1 P00352 5/20 0.44
▸ TRPA1 O75762 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ ALOX15 P16050 2/20 0.37
▸ SOAT1 P35610 1/20 0.37
▸ MAPT P10636 1/20 0.35

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
SCHEMBL28002763 0.98 GAA (0.71) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL6694426 0.93 GAA (0.79) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL9240766 0.91 GAA (0.83) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL79626 0.91 GAA (0.83) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1330988 0.91 — —
SCHEMBL15500 0.91 — —
SCHEMBL1871576 0.91 GAA (0.74) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1331762 0.91 — —
SCHEMBL1331782 0.91 — —
SCHEMBL1331371 0.91 — —

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-105793039-A Surface protective film 三菱树脂株式会社 2016-07-20 — — CN disclosed