Butanone

Butanone

SCHEMBL28901845

CC=CCCCC.CCC(C)=O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.50
F3 P13726 2/20 0.50
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PPARG P37231 4/20 0.45
TERT O14746 3/20 0.45
PTPN1 P18031 3/20 0.45
PPARD Q03181 3/20 0.45
PPARA Q07869 3/20 0.45
TOP1 P11387 3/20 0.45
CYP1A2 P05177 2/20 0.45
MAPT P10636 2/20 0.45
CYP2C19 P33261 2/20 0.45
BLM P54132 2/20 0.45
HSD17B10 Q99714 2/20 0.45
FABP4 P15090 2/20 0.45
FAAH O00519 2/20 0.45
KMT2A Q03164 2/20 0.45
GMNN O75496 1/20 0.45
USP2 O75604 1/20 0.45

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 SCHEMBL18344256 0.91 F7 (0.54) F7F3TDP1ALDH1A1PPARG
Acetic Acid SCHEMBL28235700 0.88 F7 (0.57) F7F3TDP1ALDH1A1PPARG
Propionic Acid SCHEMBL6860269 0.86 F7 (0.61) F7F3TDP1ALDH1A1PPARG
Bicarbonate SCHEMBL4336618 0.86 F7 (0.59) F7F3TDP1ALDH1A1PPARG
Methyl Alcohol SCHEMBL20394593 0.83
SCHEMBL28376232 0.83 PPARG (0.52) F7F3TDP1ALDH1A1PPARG
SCHEMBL50914 0.83
SCHEMBL14038327 0.83
SCHEMBL50913 0.83
Acetone SCHEMBL28388015 0.82 TERT (0.61) F7F3TDP1PPARGTERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113244117-A Composition providing delayed release of active substances 诺赛尔股份有限公司 2021-08-13 CN disclosed
CN-107107019-B Coated microcapsules 诺赛尔股份有限公司 2021-06-18 CN disclosed
CN-107001979-B Coated microcapsules 诺赛尔股份有限公司 2021-05-28 CN disclosed
CN-107249545-B Composition providing delayed release of active substances 诺赛尔股份有限公司 2021-05-25 CN disclosed
CN-106999896-B Coated microcapsules 诺赛尔股份有限公司 2020-10-30 CN disclosed