Butanone

Butanone

SCHEMBL28528843

CCC(C)=O.CCC(C)OC(=O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
FFAR3 O14843 1/20 0.33
GALR3 O60755 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FAAH O00519 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
SCHEMBL13195782 0.91
SCHEMBL25435789 0.91 MAPT (0.41) MAPTTSHRCHRM2CHRM4CHRM1
SCHEMBL149835 0.91
SCHEMBL13195784 0.91
Ethane SCHEMBL11331565 0.88 MAPT (0.40) MAPTTSHRCHRM2CHRM4CHRM1
Methane SCHEMBL16648887 0.88
Hydrochloric Acid SCHEMBL11861052 0.88
Ethyne SCHEMBL5537435 0.86 MAPT (0.39) MAPTTSHRCHRM2CHRM4CHRM1
Carbon Dioxide SCHEMBL27969409 0.84 MAPT (0.38) MAPTTSHRCHRM2CHRM4CHRM1
SCHEMBL17780101 0.82 MAPT (0.37) MAPTTSHRCHRM2CHRM4CHRM1

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-109111537-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 CN disclosed