SCHEMBL3234409

SCHEMBL3234409

CC(C)C1CCCC(C(C)CC=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
SCHEMBL3223235 0.83
SCHEMBL25338157 0.81 SHBG (0.36)
SCHEMBL4865536 0.79 SHBG (0.39)
SCHEMBL11449188 0.79 SHBG (0.39)
SCHEMBL8652418 0.79 SHBG (0.39)
SCHEMBL4865547 0.79 SHBG (0.39)
SCHEMBL3230825 0.79
SCHEMBL4578418 0.77
SCHEMBL18964951 0.76 SHBG (0.33)
SCHEMBL27726400 0.73 ADH1B (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511001-B2 Substituted cyclohexyl propanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-03-31 US claimed
US-20090036347-A1 SUBSTITUTED CYCLOHEXYL PROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-02-05 US claimed
CN-108025194-B Fragrant component of Qingxiang and Suzuan blue 弗门尼舍有限公司 2021-10-22 CN disclosed
EP-3349862-B1 A GREEN, LILY OF THE VALLEY PERFUMING INGREDIENT FIRMENICH & CIE (CH) 2019-09-04 EP disclosed
US-10100267-B1 Green, lily of the valley perfuming ingredient FIRMENICH SA (CH) 2018-10-16 US disclosed
US-20180282660-A1 A GREEN, LILY OF THE VALLEY PERFUMING INGREDIENT FIRMENICH SA (CH) 2018-10-04 US disclosed
EP-3349862-A1 A GREEN, LILY OF THE VALLEY PERFUMING INGREDIENT Firmenich SA (CH) 2018-07-25 EP disclosed
CN-108025194-A Fragrant component of Qingxiang and Suzuan blue 弗门尼舍有限公司 2018-05-11 CN disclosed
WO-2017046071-A1 A GREEN, LILY OF THE VALLEY PERFUMING INGREDIENT FIRMENICH SA (CH) 2017-03-23 WO disclosed
CN-101535232-B Fragrance compound GIVAUDAN S.A. (CH) 2016-05-11 CN disclosed
CN-104045535-A Novel Fragrance Compounds GIVAUDAN NEDERLAND SERVICES BV 2014-09-17 CN disclosed
US-7511001-B2 Substituted cyclohexyl propanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-03-31 US disclosed
US-7511001-B2 Substituted cyclohexyl propanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-03-31 US disclosed
EP-2024349-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Abbott Laboratories (US) 2009-02-18 EP disclosed
US-20090036347-A1 SUBSTITUTED CYCLOHEXYL PROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-02-05 US disclosed
US-20090036347-A1 SUBSTITUTED CYCLOHEXYL PROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-02-05 US disclosed
US-20090036347-A1 SUBSTITUTED CYCLOHEXYL PROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-02-05 US disclosed
WO-2008053148-A1 NOVEL FRAGRANCE COMPOUNDS GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-05-08 WO disclosed
WO-2008053148-A1 NOVEL FRAGRANCE COMPOUNDS GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-05-08 WO disclosed
WO-2007140439-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 WO disclosed