Acetone

Acetone

SCHEMBL528137

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 1.00
TSHR P16473 2/20 0.62
THPO P40225 1/20 0.62
FFAR3 O14843 1/20 0.62
LCK P06239 1/20 0.62
FYN P06241 1/20 0.62
CA1 P00915 3/20 0.56
BLM P54132 2/20 0.56
PMP22 Q01453 2/20 0.56
ALOX15 P16050 1/20 0.56
ALDH1A1 P00352 5/20 0.46
CA4 P22748 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CA2 P00918 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PTGS1 P23219 1/20 0.46
MMP12 P39900 1/20 0.46
NFKB1 P19838 1/20 0.42
TRPA1 O75762 1/20 0.42
CA9 Q16790 1/20 0.38

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 SCHEMBL1129275 1.00
Acetone SCHEMBL7459124 1.00
Acetone SCHEMBL1330194 1.00
Acetone SCHEMBL662 1.00
Acetone SCHEMBL5665105 1.00 LMNA (1.00) LMNATSHRTHPOFFAR3LCK
Acetone SCHEMBL10051943 1.00
Acetone SCHEMBL8041527 1.00 LMNA (1.00) LMNATSHRTHPOFFAR3LCK
Acetone SCHEMBL13343996 1.00
Acetone SCHEMBL10051950 1.00
Acetone SCHEMBL8218303 1.00 LMNA (1.00) LMNATSHRTHPOFFAR3LCK

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
EP-2598537-A2 HYDROGENATION OF DIENE-BASED POLYMERS Lanxess Deutschland GmbH (DE) 2013-06-05 EP disclosed
WO-2012013697-A2 HYDROGENATION OF DIENE-BASED POLYMERS LANXESS DEUTSCHLAND GMBH (DE) 2012-02-02 WO disclosed
US-5709850-A PSEUDOLATEX CONTAINING NEUTRALIZED CARBOXYLIC POLYMER, PLASTICIZER L'OREAL (FR) 1998-01-20 US disclosed
US-5660820-A INCLUDES PARTICLES OF A FILM-FORMING POLYMER CONTAINING CARBOXYLIC ACID FUNCTIONS NEUTRALIZED USING A NONVOLATILE MONOBASIC AGENT; PLASTICIZERS L'OREAL (FR) 1997-08-26 US disclosed