SCHEMBL6848903

SCHEMBL6848903

CC(=O)OC(C)C1(C)OCCO1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2484323 0.76 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2484324 0.76 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL12694792 0.76 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2142440 0.74 TSHR (0.34) TSHR
SCHEMBL27831777 0.73 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9313086 0.70
SCHEMBL27669363 0.69 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9840033 0.66
Dioxane SCHEMBL1741544 0.65 TSHR (0.70) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28022534 0.65 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R

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 31 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