SCHEMBL113205

SCHEMBL113205

CC(O)C(C)CCC1CCC(C)C1(C)C

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL20607559 1.00
SCHEMBL2710118 0.79
SCHEMBL111669 0.79 TSHR (0.34)
SCHEMBL20607558 0.79 TSHR (0.34)
SCHEMBL23086230 0.76
SCHEMBL21333566 0.76
SCHEMBL17907441 0.76
SCHEMBL11528522 0.76
SCHEMBL16558597 0.76
SCHEMBL20305153 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3884018-A1 JASMOL Symrise AG (DE) 2021-09-29 EP claimed
CN-113056547-A Jasmine alcohol 西姆莱斯有限公司 2021-06-29 CN claimed
EP-1226113-B1 ESTERS COMPRISING A SECONDARY CARBAMOYL FUNCTION AND THEIR USE AS ODORANT ALCOHOL PRECURSORS FIRMENICH & CIE (CH) 2005-11-09 EP claimed
US-6939835-B2 Cyclic compounds and their use as precursors of fragrant alcohols FIRMENICH SA (CH) 2005-09-06 US claimed
US-20240240106-A1 1,4-BUTANEDIOL MONO- OR DIESTERS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2024-07-18 US disclosed
EP-3532018-B1 USE OF 1-[(4R)-4-METHYLCYCLOHEXEN-1-YL]ETHANONE AS AN AROMA CHEMICAL BASF SE (DE) 2024-07-17 EP disclosed
EP-4214211-B1 SECO-AMBRAKETALS SYMRISE AG (DE) 2024-07-10 EP disclosed
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances SYMRISE AG (DE) 2024-07-09 US disclosed
EP-4393581-A2 BIODEGRADABLE POLYUREA/POLYURETHANE MICROCAPSULES Symrise AG (DE) 2024-07-03 EP disclosed
US-12023640-B2 Aqueous dispersion of microcapsules, and uses thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2024-07-02 US disclosed
US-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives SYMRISE AG (DE) 2024-07-02 US disclosed
US-20240209281-A1 2,4-DIMETHYLOCTA-2,7-DIEN-4-OL AS AN ODORIFEROUS SUBSTANCE SYMRISE AG (DE) 2024-06-27 US disclosed
US-4210767-A 2,2,3-Trimethyl-3-cyclopenten-1-ylalkenyl and alkylidene secondary alkanols, alkanones, cycloalkanols and cycloalkanones, organoleptic uses thereof in perfume compositions, colognes and perfumed articles and process for producing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-07-01 US disclosed
US-4208296-A Use of 2,2,3,-trimethyl-3-cyclopenten-1-ylalkenyl and alkylidene cycloalkanols and cycloalkanones in augmenting or enhancing the aroma of detergents INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-06-17 US disclosed
US-4206091-A PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-06-03 US disclosed
US-4174287-A 2,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-pentanol, perfume compositions, colognes and perfumed articles containing same and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-11-13 US disclosed
US-4173585-A PERFUMES FOR SOAPS AND DETERGENTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-11-06 US disclosed
US-4170577-A 2,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-pentanol perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-10-09 US disclosed
US-4149020-A Intermediate for preparation of 2,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-pentanol INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-04-10 US disclosed
US-4052341-A 3-METHYL-5-(2,2,3-TRIMETHYLCYCLOPENT-3-EN-1-YL)PENTAN-2-OL COMPOUND AND PERFUME COMPOSITIONS GIVAUDAN CORPORATION (US) 1977-10-04 US disclosed