Acetone

Acetone

SCHEMBL1782990

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

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
PIK3CD O00329 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 6/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 2/20 0.35
TRPA1 O75762 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
TET2 Q6N021 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ACHE P22303 1/20 0.31
SLC15A2 Q16348 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
Acetone SCHEMBL2784800 1.00 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL1536952 0.97 HMGCR (0.43) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL28494 0.97
SCHEMBL8482096 0.94
Ammonia Solution, Strong SCHEMBL9790221 0.94
Phosphine SCHEMBL15818790 0.94
Bromide SCHEMBL31309745 0.94
Hydrogen Peroxide SCHEMBL11424917 0.94 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1APIK3CD
Water SCHEMBL29974354 0.94
Acetic Acid SCHEMBL15657956 0.91 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1APIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180256105-A1 FLEXIBLE WEARABLE DRY ELECTRODE AND PREPARATION METHOD THEREOF SUZHOU MINDOM TECHNOLOGY CO., LTD. (CN) 2018-09-13 US claimed
US-20110118374-A1 Method for Preparing a Hard Film or Coating from a Cationically Cross-Linkable/Polymerizable Composition Comprising an Iodonium Borate and Giving Off an Acceptable Odour BLUESTAR SILICONES FRANCE SAS (FR) 2011-05-19 US disclosed
EP-2225285-A1 METHOD FOR PREPARING A HARD FILM OR COATING FROM A CATIONICALLY CROSSLINKABLE/POLYMERIZABLE COMPOSITION COMPRISING AN IODONIUM BORATE AND GIVING OFF AN ACCEPTABLE ODOUR Bluestar Silicones France SAS (FR) 2010-09-08 EP disclosed
WO-2009083564-A1 METHOD FOR PREPARING A HARD FILM OR COATING FROM A CATIONICALLY CROSSLINKABLE/POLYMERIZABLE COMPOSITION COMPRISING AN IODONIUM BORATE AND GIVING OFF AN ACCEPTABLE ODOUR BLUESTAR SILICONES FRANCE SAS (FR) 2009-07-09 WO disclosed