Acetoacetic Acid

Acetoacetic Acid

SCHEMBL28115416

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

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 2/20 0.39
HCAR2 Q8TDS4 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TSHR P16473 7/20 0.38
KDM4E B2RXH2 2/20 0.37
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
HPGD P15428 1/20 0.36
ALDH1A1 P00352 8/20 0.36
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 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
Acetoacetic Acid SCHEMBL28704843 0.94 TSHR (0.41) MGAMGAASIMGAM2HSD17B10
Malonic Acid SCHEMBL7939336 0.89 LDHA (0.45) HSD17B10ALOX15HCAR2KEAP1NFE2L2
Malonic Acid SCHEMBL28190604 0.86 LDHA (0.43) HSD17B10ALOX15HCAR2KEAP1NFE2L2
Acetoacetic Acid SCHEMBL28128424 0.86 MGAM (0.37) MGAMGAASIMGAM2HSD17B10
Acrylic Acid Methyl Ester SCHEMBL27547469 0.84 GLRA1 (0.46) MGAMGAASIMGAM2HSD17B10
Acrylic Acid Methyl Ester SCHEMBL502518 0.84 HCAR2 (0.48) HSD17B10ALOX15HCAR2KEAP1NFE2L2
Acrylic Acid Methyl Ester SCHEMBL14892886 0.83
Acrylic Acid Methyl Ester SCHEMBL27474805 0.83 MGAM (0.65) MGAMGAASIMGAM2HSD17B10
Acrylic Acid Methyl Ester SCHEMBL27473540 0.82 TSHR (0.43) HSD17B10ALOX15HCAR2KEAP1NFE2L2
Succinic Acid SCHEMBL27421017 0.82 TSHR (0.43) HSD17B10ALOX15HCAR2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103857759-B Aqueous polymer dispersions 罗门哈斯公司 2016-12-14 CN claimed
CN-117865789-A Synthesis method of glutaric acid 中科合成油技术股份有限公司 2024-04-12 CN disclosed
CN-109628023-A A kind of acryloid cement gold stamping for casement and preparation method thereof 桐乡市星邦科技发展有限公司 2019-04-16 CN disclosed
CN-109415521-A Functional film, polarizing plate and display device 富士胶片株式会社 2019-03-01 CN disclosed
CN-109415465-A Copolymer and composition 富士胶片株式会社 2019-03-01 CN disclosed
CN-108299594-A Water-dispersible copolymers for formaldehyde scavenging 广东华润涂料有限公司 2018-07-20 CN disclosed
CN-106660306-A Non-flammable sheet and production method therefor 凸版印刷株式会社 2017-05-10 CN disclosed
CN-103857759-B Aqueous polymer dispersions 罗门哈斯公司 2016-12-14 CN disclosed