Butanone

Butanone

SCHEMBL27680333

CCC(C)=O.CCCC=O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
TDP1 Q9NUW8 4/20 0.56
TSHR P16473 2/20 0.46
ADH1B P00325 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
FAAH O00519 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
MAPK1 P28482 1/20 0.35
FFAR3 O14843 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
SLC15A2 Q16348 1/20 0.33
HIF1A Q16665 1/20 0.33
HPGD P15428 1/20 0.32
CES2 O00748 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
Butanal SCHEMBL5030019 0.88
Butanal SCHEMBL11556446 0.86 ALDH1A1 (0.63) ALDH1A1TDP1TSHRADH1BADH1A
Butanal SCHEMBL1521394 0.86
Butanal SCHEMBL7257835 0.84 ALDH1A1 (0.60) ALDH1A1TDP1TSHRADH1BADH1A
Butanal SCHEMBL11882078 0.83 ALDH1A1 (0.67) ALDH1A1TDP1TSHRADH1BADH1A
Butanal SCHEMBL27351305 0.83
Butanal SCHEMBL10448612 0.82
Butanal SCHEMBL7323870 0.82
Butanal SCHEMBL597713 0.82 ALDH1A1 (1.00) ALDH1A1TDP1TSHRADH1BADH1A
Butanal SCHEMBL807 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414063-B Gas barrier film and electronic device using same 柯尼卡美能达株式会社 2018-09-11 CN disclosed
CN-101194755-B Additive agent selectively reducing aldehydes matter in cigarette flue gas, production method and application thereof HUNAN ZHONGYAN INDUSTRY CO LTD 2010-09-29 CN disclosed
CN-101194755-A Additive agent selectively reducing aldehydes matter in cigarette flue gas, production method and application thereof HUNAN ZHONGYAN INDUSTRY CO LTD (CN) 2008-06-11 CN disclosed
CN-101043826-A Selective filtration of cigarette smoke using chitosan derivatives BROWN & WILLIAMSON HOLDINGS (US) 2007-09-26 CN disclosed