Acetone

Acetone

SCHEMBL18344256

CC(C)=O.CC=CCCCC

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.54
F3 P13726 2/20 0.54
PPARG P37231 5/20 0.48
PPARD Q03181 4/20 0.48
PPARA Q07869 4/20 0.48
TERT O14746 3/20 0.48
PTPN1 P18031 3/20 0.48
MAPT P10636 3/20 0.48
BLM P54132 3/20 0.48
HSD17B10 Q99714 3/20 0.48
FABP4 P15090 3/20 0.48
KMT2A Q03164 3/20 0.48
TOP1 P11387 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
FAAH O00519 2/20 0.48
USP2 O75604 2/20 0.48
LMNA P02545 2/20 0.48
ALOX15 P16050 2/20 0.48
RECQL P46063 2/20 0.48

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
Acetic Acid SCHEMBL28235700 0.93 F7 (0.57) F7F3PPARGPPARDPPARA
Butanone SCHEMBL28901845 0.91 F7 (0.50) F7F3PPARGPPARDPPARA
Acetone SCHEMBL28388015 0.91 TERT (0.61) F7F3PPARGPPARDPPARA
Bicarbonate SCHEMBL4336618 0.90 F7 (0.59) F7F3PPARGPPARDPPARA
Methyl Alcohol SCHEMBL20394593 0.87
SCHEMBL14038327 0.87
SCHEMBL50913 0.87
SCHEMBL50914 0.87
Propionic Acid SCHEMBL6860269 0.86 F7 (0.61) F7F3PPARGPPARDPPARA
Acetic Acid SCHEMBL27755990 0.86 PPARG (0.61) F7F3PPARGPPARDPPARA

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-116490160-A A mixture containing 1, 2-alkanediol 西姆莱斯股份公司 2023-07-25 CN claimed
CN-117677381-A Fragrance composition 科蒂公司 2024-03-08 CN disclosed
CN-117090046-A Composition for reducing malodor and use thereof 阿吉莱克斯香料和香水公司 2023-11-21 CN disclosed
CN-116490160-A A mixture containing 1, 2-alkanediol 西姆莱斯股份公司 2023-07-25 CN disclosed
CN-114269888-A Fragrance enhancing compositions 阿尔门德拉私人有限公司 2022-04-01 CN disclosed
CN-109568166-B Fragrance materials 宝洁公司 2022-01-28 CN disclosed
EP-3310888-A1 PERFUME COMPOSITIONS The Procter and Gamble Company (US) 2018-04-25 EP disclosed
WO-2016209863-A1 PERFUME COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-12-29 WO disclosed