Butanone

Butanone

SCHEMBL11211772

CCC(C)=O.O=S1(=O)CCCC1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
FFAR3 O14843 1/20 0.32
TRPA1 O75762 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
Propionic Acid SCHEMBL38658951 0.84 FFAR3 (0.53) ALDH1A1TDP1FFAR3
Acetone SCHEMBL15260481 0.83 LMNA (0.40)
Acetic Acid SCHEMBL28299158 0.80 FFAR3 (0.44) FFAR3
Alcohol SCHEMBL7196241 0.80 ALDH1A1 (0.38) ALDH1A1
Butane SCHEMBL1419427 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL659287 0.77 TSHR (0.39) ALDH1A1
Cyclohexane SCHEMBL1573965 0.76 ALDH1A1 (0.77) ALDH1A1TDP1FFAR3TRPA1
Cyclooctane SCHEMBL17142032 0.76 ALDH1A1 (0.77) ALDH1A1TDP1FFAR3TRPA1
Butanone SCHEMBL28629198 0.76
SCHEMBL11662497 0.75 CES2 (0.38) ALDH1A1FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110072810-A Composite graphite particle, its manufacturing method and application thereof 昭和电工株式会社 2019-07-30 CN disclosed
CN-107250037-B Carbon material, method for producing same, and use thereof 昭和电工株式会社 2019-07-19 CN disclosed
CN-106458603-B Carbon material, its manufacturing method and application thereof 昭和电工株式会社 2018-12-18 CN disclosed
CN-108502877-A Graphite powder and its manufacturing method and battery electrode graphite material, lithium battery electrode and lithium rechargeable battery 昭和电工株式会社 2018-09-07 CN disclosed
CN-104969389-B Graphite powder for negative electrode active material of lithium ion secondary battery 昭和电工株式会社 2018-08-24 CN disclosed
CN-107250037-A Carbon material, method for producing same, and use thereof 昭和电工株式会社 2017-10-13 CN disclosed
CN-105899500-A Substituted 1,2,4-triazine-3,5-diones and the use thereof as chymase inhibitors 拜耳医药股份有限公司 2016-08-24 CN disclosed
US-4385196-A RECOVERY OF SOLVENT IN DRYING/STRIPPING COLUMN PHILLIPS PETROLEUM COMPANY (US) 1983-05-24 US disclosed