SCHEMBL898668

SCHEMBL898668

CC1=CCCC(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
Methyl Alcohol SCHEMBL16568700 0.95 MEN1 (0.31)
Acetaldehyde SCHEMBL11445865 0.89
SCHEMBL20171092 0.75
SCHEMBL11804058 0.73
SCHEMBL11804051 0.73
SCHEMBL8878505 0.72
SCHEMBL21001220 0.72
SCHEMBL23432304 0.72
SCHEMBL22653550 0.72
SCHEMBL24534611 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347757-A1 FRAGRANCE FOR IMPROVING RELAXATION STATE AND METHOD OF ASSESSING Givaudan SA (CH) 2024-04-10 EP claimed
WO-2022234149-A1 FRAGRANCE FOR IMPROVING RELAXATION STATE AND METHOD OF ASSESSING GIVAUDAN SA (CH) 2022-11-10 WO claimed
CN-115260029-A Method for producing 2,3,5-trimethylhydroquinone diester by using bubble column reactor 万华化学集团股份有限公司 2022-11-01 CN claimed
CN-114933582-A Based on pair H 2 O 2 Responsive tea extract EGCG prodrug and preparation method and application thereof 江苏下蜀黄土农业科技有限公司 2022-08-23 CN claimed
CN-112920032-B Preparation method of beta-isophorone 万华化学集团股份有限公司 2022-07-12 CN claimed
CN-114315541-A Cyclohexanone composition and application thereof 万华化学(四川)有限公司 2022-04-12 CN claimed
CN-108929456-A A kind of TPR inorganic agent and preparation method 扬州朗劲塑胶实业有限公司 2018-12-04 CN claimed
EP-2621991-A1 PROCESS FOR PREPARING EPOXY RESINS Dow Global Technologies LLC (US) 2013-08-07 EP claimed
WO-2012044442-A1 PROCESS FOR PREPARING EPOXY RESINS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-04-05 WO claimed
US-20070060713-A1 Reactive diluents in coating formulation BP CHEMICALS LIMITED (GB) 2007-03-15 US claimed
EP-1620515-B1 REACTIVE DILUENTS IN COATING FORMULATION UNIV SOUTHERN MISSISSIPPI RES (US) 2006-12-27 EP claimed
EP-1467961-A1 PROCESS FOR THE PREPARATION OF 3,5,5-TRIMETHYL-CYCLOHEX-2-ENE-1,4-DIONE Degussa AG (DE) 2004-10-20 EP claimed
EP-1363952-A1 METHOD FOR OBTAINING A STABILISED PHOTOCHROMIC LATEX, LATEX OBTAINED AND USE IN OPHTHALMIC OPTICS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2003-11-26 EP claimed
WO-2003062184-A1 PROCESS FOR THE PREPARATION OF 3,5,5-TRIMETHYL-CYCLOHEX-2-ENE-1,4-DIONE DEGUSSA AG (DE) 2003-07-31 WO claimed
US-6506917-B1 Ligands which are more selective for retinoid X receptor than is retinoic acid THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2003-01-14 US claimed
WO-2002055564-A1 METHOD FOR OBTAINING A STABILISED PHOTOCHROMIC LATEX, LATEX OBTAINED AND USE IN OPHTHALMIC OPTICS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2002-07-18 WO claimed
US-12616948-B2 Polyamide microcapsules FIRMENICH SA (CH) 2026-05-05 US disclosed
US-12544730-B2 Process for preparing microcapsules FIRMENICH SA (CH) 2026-02-10 US disclosed
US-4026947-A CHELATE CATALYSTS OF COBALT OR MANGANESE RHONE-POULENC INDUSTRIES (FR) 1977-05-31 US disclosed
US-3981311-A Aromatic compositions FIRMENICH S.A. (CH) 1976-09-21 US disclosed