SCHEMBL4428185

SCHEMBL4428185

CC1(C)C=CCC(C=O)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
SCHEMBL167344 0.67
SCHEMBL180026 0.67
SCHEMBL6847784 0.64
SCHEMBL27877524 0.64
SCHEMBL1426288 0.63
SCHEMBL21805332 0.63
SCHEMBL30785819 0.62
SCHEMBL23424284 0.60 FNTA (0.33)
SCHEMBL27488613 0.60
SCHEMBL11761505 0.60

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697347-A1 EQUILIBRATED DYNAMIC MIXTURES TO CONTROL THE RELEASE OF PERFUMING ALDEHYDES AND KETONES Firmenich SA (CH) 2014-02-19 EP disclosed
WO-2012139912-A1 EQUILIBRATED DYNAMIC MIXTURES TO CONTROL THE RELEASE OF PERFUMING ALDEHYDES AND KETONES FIRMENICH SA (CH) 2012-10-18 WO disclosed
CN-101675060-A Substituted dihydro and tetrahydro oxazolopyrimidinones, their preparation and use SANOFI AVENTIS 2010-03-17 CN disclosed
EP-2114899-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-11-11 EP disclosed
WO-2008093272-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2008-08-07 WO disclosed
EP-0907357-A4 NON-AQUEOUS CONTROLLED RELEASE PEST AND AIR CARE GEL COMPOSITION PENNZOIL PROD CO (US) 2001-08-22 EP disclosed
EP-0907357-A1 NON-AQUEOUS CONTROLLED RELEASE PEST AND AIR CARE GEL COMPOSITION PENNZOIL PRODUCTS COMPANY (US) 1999-04-14 EP disclosed
WO-1997031623-A1 NON-AQUEOUS CONTROLLED RELEASE PEST AND AIR CARE GEL COMPOSITION PENNZOIL PRODUCTS COMPANY (US) 1997-09-04 WO disclosed