SCHEMBL6848907

SCHEMBL6848907

CC(=O)OCC(C)C1OCCO1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NLRP3 Q96P20 2/20 0.33
PDK1 Q15118 1/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL19834909 0.74 ALDH1A1 (0.42) TDP1ALDH1A1
SCHEMBL28955084 0.71 TDP1 (0.37) TDP1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL11234760 0.71 ALDH1A1 (0.35) TDP1ALDH1A1LMNA
SCHEMBL24145156 0.70 TDP1 (0.35) TDP1ALDH1A1
SCHEMBL11662742 0.70 TDP1 (0.32) TDP1ALDH1A1
SCHEMBL28859526 0.69 TSHR (0.42) LMNATSHR
Acetic Acid Isobutyl Ester SCHEMBL23700756 0.69 TSHR (0.47) TDP1ALDH1A1LMNAHSD17B10TSHR
Acetic Acid Isobutyl Ester SCHEMBL27290582 0.69
SCHEMBL9786408 0.69 EPHX1 (0.36) TDP1ALDH1A1
SCHEMBL11093401 0.69 TSHR (0.34) ALDH1A1HSD17B10PDK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716313-B Compounds for the treatment of rheumatoid arthritis 重庆化工职业学院 2023-09-22 CN claimed
CN-114716313-A Compounds for the treatment of rheumatoid arthritis 重庆化工职业学院 2022-07-08 CN claimed
CN-118339214-A Coating composition PPG工业俄亥俄公司 2024-07-12 CN disclosed
CN-118048210-A Detergent composition 广州立白企业集团有限公司 2024-05-17 CN disclosed
CN-115894206-B Bicyclic conjugated ketene compound, and pharmaceutical composition and application thereof 重庆化工职业学院 2024-04-19 CN disclosed
CN-114716313-B Compounds for the treatment of rheumatoid arthritis 重庆化工职业学院 2023-09-22 CN disclosed
CN-116568266-A Aqueous hair conditioner composition containing dissolved anti-dandruff active 宝洁公司 2023-08-08 CN disclosed
CN-115894206-A Bicyclic conjugated ketene compounds, pharmaceutical composition and application thereof 重庆化工职业学院 2023-04-04 CN disclosed
CN-114716313-A Compounds for the treatment of rheumatoid arthritis 重庆化工职业学院 2022-07-08 CN disclosed
EP-3769627-A1 AROMA-FREE FRUIT JUICE Suntory Holdings Limited (JP) 2021-01-27 EP disclosed
US-20210000141-A1 AROMA-FREE FRUIT JUICE SUNTORY HOLDINGS LIMITED (JP) 2021-01-07 US disclosed
US-4390556-A FERMENTATION BY FUNGI; ORGANOLEPTIC; TOBACCO; FOODS; TEA GIVAUDAN CORPORATION (US) 1983-06-28 US disclosed
US-4390557-A Microbiological transformations of irone compounds GIVAUDAN CORPORATION (US) 1983-06-28 US disclosed
US-4347190-A ORGANOLEPTIC GIVAUDAN CORPORATION (US) 1982-08-31 US disclosed
US-4311860-A FUNGI, FORMATION OF CYCLOHEXYL ALCOHOLS OR KETONES GIVAUDAN CORPORATION (US) 1982-01-19 US disclosed
US-4258071-A 1,4-Epoxy-1,3,3-trimethyl-2-(2-buten-1-ylidene)cyclohexanes as flavorants GIVAUDAN CORPORATION (US) 1981-03-24 US disclosed
US-4255337-A SUBSTITUTED HEXENYL TETRAHYDROFURAN GIVAUDAN CORPORATION (US) 1981-03-10 US disclosed
US-4250099-A ODORS; FLAVORS; RING EXPANSION OF A 1-OXYALKYL- OR 1-HYDROXYALKYL-2-OXA(4.1.0)BICYCLOHEPTANE GIVAUDAN CORPORATION (US) 1981-02-10 US disclosed
US-4250062-A 1,4-Epoxy-1,3,3-trimethyl-2-(2-buten-1-ylidene) cyclohexanes as odorants GIVAUDAN CORPORATION (US) 1981-02-10 US disclosed
US-4225501-A ORGANOLEPTIC GIVAUDAN CORPORATION (US) 1980-09-30 US disclosed