Malonic Acid

Malonic Acid

SCHEMBL28190604

C=CC(=O)OC.N.N.O=C(O)CC(=O)O

nearest known ligand 0.43

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.43
SRR Q9GZT4 1/20 0.43
HCAR2 Q8TDS4 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 8/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 7/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 3/20 0.32

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 SCHEMBL7939336 0.98 LDHA (0.45) LDHASRRHCAR2KEAP1NFE2L2
Malonic Acid SCHEMBL28082704 0.88 ALDH1A1 (0.48) LDHASRRHCAR2KEAP1NFE2L2
Acrylic Acid Methyl Ester SCHEMBL14892886 0.87
Acrylic Acid Methyl Ester SCHEMBL756906 0.87
Acetoacetic Acid SCHEMBL28115416 0.86 MGAM (0.41) LDHASRRHCAR2KEAP1NFE2L2
Succinic Acid SCHEMBL27421017 0.86 TSHR (0.43) HCAR2KEAP1NFE2L2HSD17B10ALOX15
Acrylic Acid Methyl Ester SCHEMBL27557604 0.86 FFAR3 (0.48) HCAR2KEAP1NFE2L2HSD17B10ALOX15
Succinic Acid SCHEMBL28054034 0.86 TSHR (0.43) HCAR2KEAP1NFE2L2HSD17B10ALOX15
Acrylic Acid Methyl Ester SCHEMBL28304536 0.86 HCAR2 (0.42) HCAR2KEAP1NFE2L2HSD17B10ALOX15
Itaconate SCHEMBL11231578 0.86 HSD17B10 (0.64) HCAR2KEAP1NFE2L2HSD17B10ALOX15

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
CN-105814092-B Composition for hydrophilic cured product 三井化学株式会社 2018-09-21 CN disclosed
CN-107430213-A Hydrophilic optical feature monofilm and its layered product 三井化学株式会社 2017-12-01 CN disclosed