Butanone

Butanone

SCHEMBL3071784

CC(=O)N(C)C.CCC(C)=O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
TDP1 Q9NUW8 3/20 0.67
FFAR3 O14843 1/20 0.39
TSHR P16473 2/20 0.37
TRPA1 O75762 1/20 0.37
CHRM1 P11229 4/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM3 P20309 2/20 0.35
HSD17B10 Q99714 2/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
PMP22 Q01453 1/20 0.33
LMNA P02545 3/20 0.32
SLC15A2 Q16348 1/20 0.32

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
Propane SCHEMBL27404624 0.86
Alcohol SCHEMBL7320295 0.83
Butanone SCHEMBL8379087 0.82 ALDH1A1 (1.00) ALDH1A1TDP1FFAR3TSHRTRPA1
Butanone SCHEMBL1039820 0.82 ALDH1A1 (1.00) ALDH1A1TDP1FFAR3TSHRTRPA1
Butanone SCHEMBL1510153 0.82
Butanone SCHEMBL1310 0.82
Butanone SCHEMBL27495689 0.82 ALDH1A1 (1.00) ALDH1A1TDP1FFAR3TSHRTRPA1
SCHEMBL4820393 0.82
SCHEMBL1925147 0.82 ALDH1A1 (0.50) ALDH1A1TDP1FFAR3TSHRCHRM1
SCHEMBL30581182 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108079805-A A kind of preparation method of composite nanometer filter seperation film 成都锦汇科技有限公司 2018-05-29 CN claimed
CN-108057345-A A kind of composite nanometer filter seperation film basement membrane and preparation method thereof 成都锦汇科技有限公司 2018-05-22 CN claimed
CN-108079805-A A kind of preparation method of composite nanometer filter seperation film 成都锦汇科技有限公司 2018-05-29 CN disclosed
CN-108079804-A A kind of composite nanometer filter seperation film 成都锦汇科技有限公司 2018-05-29 CN disclosed
CN-108079804-A A kind of composite nanometer filter seperation film 成都锦汇科技有限公司 2018-05-29 CN disclosed
CN-108079805-A A kind of preparation method of composite nanometer filter seperation film 成都锦汇科技有限公司 2018-05-29 CN disclosed
CN-108057345-A A kind of composite nanometer filter seperation film basement membrane and preparation method thereof 成都锦汇科技有限公司 2018-05-22 CN disclosed
US-8454925-B2 Cathode active material for non-aqueous electrolyte secondary battery and manufacturing method of the same MITSUBISHI HEAVY INDUSTRIES, LTD. (JP) 2013-06-04 US disclosed
US-20100035155-A1 CATHODE ACTIVE MATERIAL FOR NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY AND MANUFACTURING METHOD OF THE SAME MITSUBISHI HEAVY INDUSTRIES, LTD. (JP) 2010-02-11 US disclosed
EP-0464588-A1 Use of vacuum for improved density in laser-induced thermal dye transfer EASTMAN KODAK COMPANY (US) 1992-01-08 EP disclosed
US-5017547-A Spacings EASTMAN KODAK COMPANY (US) 1991-05-21 US disclosed