Acetoacetic Acid

Acetoacetic Acid

SCHEMBL28474931

CC(=O)CC(=O)O.CCc1ccccc1C(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLCN2 P51788 2/20 0.53
▸ FOLH1 Q04609 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ BRD4 O60885 2/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ SLC16A3 O15427 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
Acetic Acid SCHEMBL11065141 0.87 FOLH1 (0.57) CLCN2FOLH1ALDH1A1ALOX15TSHR
Phthalic Acid SCHEMBL28536019 0.87 ALDH1A1 (0.61) ALDH1A1ALOX15TSHRHTTTDP1
SCHEMBL28115 0.87 FOLH1 (0.61) CLCN2FOLH1ALDH1A1ALOX15TSHR
Dimethylamine SCHEMBL2406110 0.85 CLCN2 (0.59) CLCN2FOLH1ALDH1A1ALOX15TSHR
SCHEMBL6914562 0.85 FOLH1 (0.59) CLCN2FOLH1ALDH1A1ALOX15TSHR
SCHEMBL6915613 0.85 FOLH1 (0.59) CLCN2FOLH1ALDH1A1ALOX15TSHR
SCHEMBL6914874 0.85 FOLH1 (0.59) CLCN2FOLH1ALDH1A1ALOX15TSHR
SCHEMBL6916475 0.85 FOLH1 (0.59) CLCN2FOLH1ALDH1A1ALOX15TSHR
Ammonia Solution, Strong SCHEMBL22042013 0.85 FOLH1 (0.59) CLCN2FOLH1ALDH1A1ALOX15TSHR
SCHEMBL6912943 0.85 FOLH1 (0.59) CLCN2FOLH1ALDH1A1ALOX15TSHR

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-111718148-A Preparation method of cement water reducer with slump retaining performance 汤如齐 2020-09-29 — — CN disclosed
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