Acetoacetic Acid

Acetoacetic Acid

SCHEMBL29048883

CC(=O)CC(=O)O.CCCCO[Al](CC)OCCCC

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CES2 O00748 1/20 0.35
AKR1B1 P15121 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.33
GPR84 Q9NQS5 7/20 0.32
PPARG P37231 7/20 0.32
PPARD Q03181 7/20 0.32
PPARA Q07869 7/20 0.32
HDAC11 Q96DB2 5/20 0.32
TSHR P16473 4/20 0.32
PTPN1 P18031 3/20 0.32
TLR2 O60603 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FABP4 P15090 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
MEN1 O00255 1/20 0.32
ESR1 P03372 1/20 0.32
ALOX15 P16050 1/20 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
Acetoacetic Acid SCHEMBL27588828 0.93 CES2 (0.44) ALDH1A1CES2GPR84PPARGPPARD
Acetoacetic Acid SCHEMBL31099304 0.84 ALDH1A1 (0.41) ALDH1A1CES2AKR1B1HCAR2ATM
SCHEMBL7596645 0.78 ADRB2 (0.41) ALDH1A1ATMTSHR
Acetoacetic Acid SCHEMBL7980543 0.76 AKR1B1 (0.55) ALDH1A1CES2AKR1B1GPR84PPARG
Acetoacetic Acid SCHEMBL6022554 0.76 AKR1B1 (0.48) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL28655158 0.76 ADRB2 (0.39) ALDH1A1ATMTSHR
Acetoacetic Acid SCHEMBL7043576 0.76 ALDH1A1 (0.43) ALDH1A1CES2AKR1B1HCAR2ATM
Acetoacetic Acid SCHEMBL10724184 0.76 ALDH1A1 (0.43) ALDH1A1CES2AKR1B1HCAR2ATM
Acetoacetic Acid SCHEMBL5581227 0.74 ALDH1A1 (0.42) ALDH1A1CES2AKR1B1HCAR2ATM
Decane SCHEMBL29408666 0.74 GPR84 (0.56) ALDH1A1CES2AKR1B1GPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118679227-A Pressure-sensitive adhesives with improved chemical stability 德莎欧洲股份公司 2024-09-20 CN disclosed
CN-114026150-B Polyamide-imide resin, resin composition, and semiconductor device 株式会社力森诺科 2024-04-05 CN disclosed
CN-113891923-B Adhesive composition and adhesive sheet 狮王特殊化学株式会社 2023-05-26 CN disclosed