Acetoacetic Acid

Acetoacetic Acid

SCHEMBL939347

CC(=O)CC(=O)[O-].CCC(CC)C(=O)CC(=O)[O-].[Al+2]

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.36
TSHR P16473 4/20 0.35
USP2 O75604 1/20 0.35
CA2 P00918 4/20 0.35
CYP3A4 P08684 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CRAT P43155 1/20 0.32
FFAR3 O14843 2/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 2/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL28339815 0.92 CA4 (0.36) CA4TSHRUSP2CA2CYP3A4
SCHEMBL2025522 0.87 CA4 (0.43) CA4TSHRUSP2CA2CYP3A4
SCHEMBL30295805 0.87 CA4 (0.43) CA4TSHRUSP2CA2CYP3A4
SCHEMBL543233 0.87 CA4 (0.43) CA4TSHRUSP2CA2CYP3A4
SCHEMBL1304416 0.87 CA4 (0.48) CA4TSHRUSP2CA2CYP3A4
SCHEMBL5547098 0.87 CA4 (0.43) CA4TSHRUSP2CA2CYP3A4
Acetoacetic Acid SCHEMBL31199196 0.84 CA2 (0.40) CA2NFKB1CA1
SCHEMBL25368820 0.83 CA4 (0.39) CA4TSHRUSP2CA2CYP3A4
SCHEMBL1935489 0.82 TSHR (0.44) TSHRUSP2CA2NPSR1ALDH1A1
SCHEMBL1720335 0.81 CA4 (0.38) CA4TSHRUSP2CA2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023119654-A1 NEGATIVE ELECTRODE, SECONDARY BATTERY, AND BATTERY PACK 株式会社 東芝 2023-06-29 WO disclosed
US-8227156-B2 Electrophotographic photoconductor, image forming apparatus, image forming method, and process cartridge RICOH COMPANY, LTD. (JP) 2012-07-24 US disclosed
US-20110111335-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, IMAGE FORMING APPARATUS, IMAGE FORMING METHOD, AND PROCESS CARTRIDGE SHIMOYAMA KEISUKE 2011-05-12 US disclosed
US-7871747-B2 Electrophotographic photoconductor having charge blocking and moire preventing layers RICOH COMPANY, LTD. (JP) 2011-01-18 US disclosed
US-20070059619-A1 Electrophotographic photoconductor, image forming apparatus, image forming method, and process cartridge RICOH COMPANY, LTD. (JP) 2007-03-15 US disclosed