SCHEMBL19196825

SCHEMBL19196825

CCC(=O)OCC(=O)O[C@@H](C)[C@@H]1CCCC(C)(C)C1

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
SCHEMBL20640479 1.00
SCHEMBL17627759 1.00
SCHEMBL22716569 1.00
SCHEMBL1482870 1.00
SCHEMBL1482871 1.00
SCHEMBL29825706 1.00
SCHEMBL26625999 0.92
SCHEMBL5042555 0.91 ADRB2 (0.31)
SCHEMBL6869255 0.90 ALDH1A1 (0.32)
SCHEMBL6864883 0.90 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025108540-A1 5-METHYLCYCLOHEXANOLS AND DERIVATIVES AS FRAGRANCES SYMRISE AG (DE) 2025-05-30 WO claimed
CN-122028974-A Ribonucleic acid-based microcapsules 弗门尼舍有限公司 2026-05-12 CN disclosed
WO-2026087780-A1 CORE-SHELL MICROCAPSULES FIRMENICH SA (CH) 2026-04-30 WO disclosed
EP-4514769-B1 MUSKY ODORANT FIRMENICH & CIE (CH) 2026-04-15 EP disclosed
EP-4724592-A2 PREPARATION OF TERPENOID COMPOUNDS Firmenich SA (CH) 2026-04-15 EP disclosed
EP-4724593-A2 POLYPEPTIDES FOR PREPARING TERPENOID COMPOUNDS Firmenich SA (CH) 2026-04-15 EP disclosed
US-20260085253-A1 LILY OF THE VALLEY ODORANT FIRMENICH & CIE (CH) 2026-03-26 US disclosed
EP-4713129-A1 ORGANOSILICON-BASED MICROCAPSULES Firmenich SA (CH) 2026-03-25 EP disclosed
EP-4711037-A2 PERFUME FORMULATION FOR DELIVERY SYSTEM Firmenich SA (CH) 2026-03-18 EP disclosed
EP-4711438-A2 PERFUME DELIVERY SYSTEM Firmenich SA (CH) 2026-03-18 EP disclosed
WO-2021122636-A1 LAUNDRY COMPOSITION FIRMENICH SA (CH) 2021-06-24 WO disclosed
WO-2021122630-A1 PERFUME FORMULATION FOR DELIVERY SYSTEM FIRMENICH SA (CH) 2021-06-24 WO disclosed
WO-2021122633-A1 PERFUME DELIVERY SYSTEM FIRMENICH SA (CH) 2021-06-24 WO disclosed
EP-3503868-B1 ANTIPERSPIRANT OR DEODORANT COMPOSITION FIRMENICH & CIE (CH) 2021-03-17 EP disclosed
WO-2020239682-A1 AMBER ODORANT FIRMENICH SA (CH) 2020-12-03 WO disclosed
EP-3122713-B1 PROCESS FOR THE PRODUCTION OF 1-(5,5-DIMETHYLCYCLOHEX-1-EN-1-YL)ETHANONE AND 1-(5,5-DIMETHYLCYCLOHEX-6-EN-1-YL)ETHANONE DSM IP ASSETS BV (NL) 2019-04-24 EP disclosed
US-10005710-B2 Process of production of 1-(5,5-dimethylcyclohex-1-en-1-yl)ethanone and 1-(5,5-dimethylcyclohex-6-en-1-yl )ethanone DSM IP ASSETS B.V. (NL) 2018-06-26 US disclosed
US-10005710-B2 Process of production of 1-(5,5-dimethylcyclohex-1-en-1-yl)ethanone and 1-(5,5-dimethylcyclohex-6-en-1-yl )ethanone DSM IP ASSETS B.V. (NL) 2018-06-26 US disclosed
US-20170217864-A1 PROCESS OF PRODUCTION OF 1-(5,5-DIMETHYLCYCLOHEX-1-EN-1-YL)ETHANONE AND 1-(5,5-DIMETHYLCYCLOHEX-6-EN-1-YL )ETHANONE DSM IP ASSETS B.V. (NL) 2017-08-03 US disclosed
US-20170217864-A1 PROCESS OF PRODUCTION OF 1-(5,5-DIMETHYLCYCLOHEX-1-EN-1-YL)ETHANONE AND 1-(5,5-DIMETHYLCYCLOHEX-6-EN-1-YL )ETHANONE DSM IP ASSETS B.V. (NL) 2017-08-03 US disclosed