SCHEMBL226713

SCHEMBL226713

CCCC(C)C1OCC(C)(CCC)CO1

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
SCHEMBL11085785 0.87
SCHEMBL11093244 0.82
SCHEMBL11088700 0.77
SCHEMBL11190605 0.76
SCHEMBL6652060 0.74
SCHEMBL6652054 0.74
SCHEMBL11092691 0.74
SCHEMBL21038287 0.73
SCHEMBL3885291 0.73
SCHEMBL22317603 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807241-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2022-04-13 EP claimed
US-20140357547-A1 PROCESS FOR THE PREPARATION OF METHOXYMELONAL GIVAUDAN S.A. (CH) 2014-12-04 US claimed
EP-2766333-A1 PROCESS FOR THE PREPARATION OF METHOXYMELONAL Givaudan SA (CH) 2014-08-20 EP claimed
WO-2013053102-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-04-18 WO claimed
WO-2013053787-A1 PROCESS FOR THE PREPARATION OF METHOXYMELONAL GIVAUDAN SA (CH) 2013-04-18 WO claimed
US-20130017990-A1 LILIAL SURROGATE HENKEL AG & CO., KGAA (DE) 2013-01-17 US claimed
EP-2408885-A1 LILIAL SURROGATE Henkel AG & Co. KGaA (DE) 2012-01-25 EP claimed
US-20120004328-A1 LILIAN SURROGATE HENKEL AG & CO. KGAA (DE) 2012-01-05 US claimed
WO-2011101181-A1 PERFUME COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2011-08-25 WO claimed
WO-2010105873-A2 LILIAL SUBSTITUTE HENKEL AG & CO. KGAA (DE) 2010-09-23 WO claimed
WO-2010105874-A1 LILIAL SURROGATE HENKEL AG & CO. KGAA (DE) 2010-09-23 WO claimed
EP-1948773-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS Henkel AG & Co. KGaA (DE) 2008-07-30 EP claimed
WO-2007054177-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS HENKEL AG & CO. KGAA (DE) 2007-05-18 WO claimed
EP-0994868-B1 METHOD FOR PREPARING OPTICALLY ACTIVE 5-METHYL-2- (1-METHYL-BUTYL)-5-PROPYL-1,3-DIOXAN KAO CORP (JP) 2004-06-09 EP claimed
US-6297390-B1 AMIDATION OF METHYL LACTATE, PROTECTING FREE OH FUNCTION WITH ETHYLVINYLETHER, GRIGNARD REACTION TO PRODUCE THE CORRESPONDING UNSATURATED KETONE; REDUCTIVE REARRANGEMENT, USE AS A PERFUME. COGNIS DEUTSCHLAND GMBH (DE) 2001-10-02 US claimed
EP-0994868-A1 METHOD FOR PREPARING OPTICALLY ACTIVE 5-METHYL-2- (1-METHYL-BUTYL)-5-PROPYL-1,3-DIOXAN Cognis Deutschland GmbH (DE) 2000-04-26 EP claimed
WO-1999002515-A1 METHOD FOR PREPARING OPTICALLY ACTIVE 5-METHYL-2- (1-METHYL-BUTYL)-5-PROPYL-1,3-DIOXAN COGNIS DEUTSCHLAND GMBH (DE) 1999-01-21 WO claimed
US-4372880-A COSMETICS; CLEANING COMPOUNDS; TEXTILES; SOFTENERS; ANTISEPTICS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1983-02-08 US claimed
US-12606780-B2 Soluble laundry detergent sheets with acrylamide polymers HENKEL AG & CO. KGAA (DE) 2026-04-21 US disclosed
EP-0039029-A2 Use of substituted 2-(1-methylbutyl)-1,3-dioxanes as perfuming agents and perfume compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-04 EP disclosed