Acetone

Acetone

SCHEMBL4068896

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

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.41
CA1 P00915 1/20 0.35
TSHR P16473 2/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CA4 P22748 1/20 0.32
THPO P40225 1/20 0.31
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31

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
Formaldehyde SCHEMBL29613022 0.81
SCHEMBL28448955 0.81
SCHEMBL28458109 0.81
Hydrochloric Acid SCHEMBL29190495 0.81
SCHEMBL9113804 0.81
Methyl Alcohol SCHEMBL9431438 0.81
SCHEMBL7629305 0.81
SCHEMBL28450105 0.81
SCHEMBL22588893 0.81
SCHEMBL11325431 0.81

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-116217419-A Method for synthesizing benzenediol from benzene 万华化学集团股份有限公司 2023-06-06 CN disclosed
WO-2009114538-A1 AMINOPHOSPHONATE CARRIERS FOR LIPOSOME-BASED DRUG RELEASE SYSTEMS PINKHASSIK EVGUENI (US) 2009-09-17 WO disclosed