SCHEMBL6248166

SCHEMBL6248166

CC(OC(C)c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADRA2A P08913 5/20 0.45
ADRA2B P18089 5/20 0.45
ADRA2C P18825 5/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1B P35368 1/20 0.45
AOC3 Q16853 1/20 0.45
CYP2A6 P11509 1/20 0.43
SLC6A4 P31645 1/20 0.42
LTC4S Q16873 1/20 0.42

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
SCHEMBL17789903 0.88 AOC3 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL11672371 0.87 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL16247725 0.85 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL10416031 0.85 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL15669160 0.83 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL14667582 0.82 ACP3 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL12061510 0.80 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL12061505 0.80 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL6752425 0.80 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL16811773 0.80 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897055-A Method for reducing abnormal odor 奇华顿股份有限公司 2024-04-16 CN claimed
CN-117980454-B Aldehyde composition 三菱瓦斯化学株式会社 2026-05-19 CN disclosed
CN-119384487-A Aldehyde composition 三菱瓦斯化学株式会社 2025-01-28 CN disclosed
CN-115997003-B Irritation-reducing surfactants 联合利华知识产权控股有限公司 2024-12-27 CN disclosed
CN-118159258-A Composition containing caryophyllene 三生医药株式会社 2024-06-07 CN disclosed
CN-117980454-A Aldehyde composition 三菱瓦斯化学株式会社 2024-05-03 CN disclosed
CN-113039259-B Transparent liquid composition 株式会社资生堂 2024-04-26 CN disclosed
CN-117897055-A Method for reducing abnormal odor 奇华顿股份有限公司 2024-04-16 CN disclosed
CN-117486682-A Preparation method of functionalized beta-naphthalenyl ether compound 中国海洋石油集团有限公司 2024-02-02 CN disclosed
CN-117377743-A Isobutyrate compound having enoyloxy group at alpha position, perfume composition and use as perfume 三菱瓦斯化学株式会社 2024-01-09 CN disclosed
CN-115379832-A Agent containing caryophyllene, composition and various uses 学校法人近畿大学 2022-11-22 CN disclosed
CN-115058289-A High performance, high impact strength fragrance emitting accord 国际香料和香精公司 2022-09-16 CN disclosed
CN-109803632-B High performance, high impact strength fragrance emitting accord 国际香料和香精公司 2022-08-09 CN disclosed
CN-114867829-A Alpha-hydroxyisobutyrate compound and perfume composition 三菱瓦斯化学株式会社 2022-08-05 CN disclosed
CN-114846126-A Isobutyrate compound having carbonate group at alpha-position and perfume composition 三菱瓦斯化学株式会社 2022-08-02 CN disclosed
CN-114555552-A Aldehyde compound, process for producing the same, and perfume composition 三菱瓦斯化学株式会社 2022-05-27 CN disclosed
EP-1560607-A2 DISPENSER FOR THE CONTROLLED RELEASE OF VOLATILE SUBSTANCES LTS Lohmann Therapie-Systeme AG (DE) 2005-08-10 EP disclosed
WO-2004043201-A2 DISPENSER FOR THE CONTROLLED RELEASE OF VOLATILE SUBSTANCES LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2004-05-27 WO disclosed
EP-0813862-B1 Perfume oil concentrates in the form of transparent aqueous microemulsions COGNIS DEUTSCHLAND GMBH (DE) 2002-12-18 EP disclosed
EP-0813862-A2 Perfume oil concentrates in the form of transparent aqueous microemulsions Henkel Kommanditgesellschaft auf Aktien (DE) 1997-12-29 EP disclosed