SCHEMBL714382

SCHEMBL714382

CCC(=O)C1=C(C)CCC(C(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
SCHEMBL6834919 0.81
SCHEMBL6835726 0.81
SCHEMBL29510509 0.70 HCAR2 (0.35)
SCHEMBL17681761 0.70 POLB (0.30)
SCHEMBL9063171 0.69
SCHEMBL11303612 0.68
SCHEMBL9839555 0.68
SCHEMBL14889348 0.66 CYP1A2 (0.34)
SCHEMBL6520242 0.65
SCHEMBL1823080 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247779-B1 PHOTOLABILE ACETAL AND KETAL COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE VOLATILE CARBONYL COMPOUNDS FIRMENICH & CIE (CH) 2019-03-13 EP claimed
US-9315763-B2 Photolabile latex for the release of perfumes FIRMENICH SA (CH) 2016-04-19 US claimed
EP-2152673-B1 3- TO 7-MEMBERED 1,3-DIAZA-4-OXO-HETEROCYCLIC DERIVATIVES CAPABLE OF RELEASING ACTIVE ALDEHYDES OR KETONES FIRMENICH & CIE (CH) 2014-08-20 EP claimed
EP-3571184-B1 CLEAVABLE SURFACTANT FIRMENICH & CIE (CH) 2023-12-13 EP disclosed
US-11344493-B2 Cleavable surfactant FIRMENICH SA (CH) 2022-05-31 US disclosed
US-20190247294-A1 CLEAVABLE SURFACTANT CNRS - CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-08-15 US disclosed
US-10377965-B2 Photolabile acetal and ketal compounds for the controlled release of active volatile carbonyl compounds FIRMENICH SA (CH) 2019-08-13 US disclosed
US-20190169529-A1 PHOTOLABILE ACETAL AND KETAL COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE VOLATILE CARBONYL COMPOUNDS FIRMENICH SA (CH) 2019-06-06 US disclosed
EP-3247779-B1 PHOTOLABILE ACETAL AND KETAL COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE VOLATILE CARBONYL COMPOUNDS FIRMENICH & CIE (CH) 2019-03-13 EP disclosed
US-20180010064-A1 PHOTOLABILE ACETAL AND KETAL COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE VOLATILE CARBONYL COMPOUNDS FIRMENICH SA (CH) 2018-01-11 US disclosed
EP-2697347-B1 EQUILIBRATED DYNAMIC MIXTURES TO CONTROL THE RELEASE OF PERFUMING ALDEHYDES AND KETONES FIRMENICH & CIE (CH) 2016-11-16 EP disclosed
US-7981436-B2 gels based on guanosine hydrazide derivatives, used as a carriers or for delivery of flavors, fragrances, insect attractants or repellents, bactericides, fungicides, pharmaceuticals or agrochemicals FIRMENICH SA (CH) 2011-07-19 US disclosed
EP-2114899-B1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH & CIE (CH) 2010-09-22 EP disclosed
US-20100226875-A1 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-09-09 US disclosed
US-20100152264-A1 3- TO 7-MEMBERED 1,3-DIAZA-4-OXO-HETEROCYCLIC DERIVATIVES CAPABLE OF RELEASING ACTIVE ALDEHYDES OR KETONES FIRMENICH SA 2010-06-17 US disclosed
US-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-04-22 US disclosed
EP-1863827-B1 HYDROGELS FOR THE CONTROLLED RELEASE OF BIOACTIVE MATERIALS FIRMENICH & CIE (CH) 2010-03-03 EP disclosed
EP-1776334-B1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES FIRMENICH & CIE (CH) 2009-10-14 EP disclosed
US-20080057005-A1 HYDROGELS FOR THE CONTROLLED RELEASE OF BIOACTIVE MATERIALS FIRMENICH SA (CH) 2008-03-06 US disclosed
US-20070141011-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES UNIVERSITE LOUIS PASTEUR (FR) 2007-06-21 US disclosed