SCHEMBL716501

SCHEMBL716501

CC1=CC(C)C(C)CC1

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
SCHEMBL22397290 0.78 ALDH1A1 (0.34)
SCHEMBL5925773 0.75
SCHEMBL1171757 0.75
SCHEMBL5086014 0.75
SCHEMBL35314 0.72
SCHEMBL717531 0.72
SCHEMBL22056754 0.72
SCHEMBL21973190 0.72
SCHEMBL8031761 0.72 MEN1 (0.31)
SCHEMBL18878241 0.72 OPRM1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3713610-A2 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR Firmenich SA (CH) 2020-09-30 EP claimed
WO-2019101821-A2 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2019-05-31 WO claimed
CN-108430445-A Spice composition 西姆莱斯股份公司 2018-08-21 CN claimed
EP-2257284-A2 METHODS OF TREATING SKIN WITH AROMATIC SKIN-ACTIVE INGREDIENTS MARY KAY INC. (US) 2010-12-08 EP claimed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
WO-2009099890-A2 METHODS OF TREATING SKIN WITH AROMATIC SKIN-ACTIVE INGREDIENTS MARY KAY INC. (US) 2009-08-13 WO claimed
EP-0977548-B2 FRAGRANCE PRO-ACCORDS PROCTER & GAMBLE (US) 2008-03-26 EP claimed
EP-0977548-B1 FRAGRANCE PRO-ACCORDS PROCTER & GAMBLE (US) 2004-08-18 EP claimed
US-6177389-B1 Detergent compositions comprising orthocarbonate pro-fragrances THE PROCTER & GAMBLE COMPANY 2001-01-23 US claimed
US-6114302-A STABILITY THE PROCTER & GAMBLE COMPANY (US) 2000-09-05 US claimed
US-6087322-A Fragrance pro-accords THE PROCTER & GAMBLE COMPANY (US) 2000-07-11 US claimed
US-6077821-A FOR USE IN DELIVERING SUSTAINED RELEASE OR ENHANCED LONGEVITY FRAGRANCES TO A VARIETY OF PERSONAL CARE AND PERSONAL HYGIENE PRODUCTS INTER ALIA DEODORANTS, BODY LOTIONS OR CREAMS, AND SHAMPOOS THE PROCTER & GAMBLE COMPANY (US) 2000-06-20 US claimed
EP-0977548-A1 FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 2000-02-09 EP claimed
US-6013618-A ORTHOESTERS, KETALS, ACETALS, ORTHOCARBONATES WHICH RELEASE TWO OR MORE FRAGRANCE RAW MATERIALS UPON HYDROLYSIS PROCTER & GAMBLE COMPANY (US) 2000-01-11 US claimed
US-5919752-A ORTHOESTERS, KETALS, ACETALS, ORTHOCARBONATES WHICH RELEASE TWO OR MORE FRAGRANCE RAW MATERIALS UPON HYDROLYSIS. PROCTER & GAMBLE (US) 1999-07-06 US claimed
WO-1998047477-A1 FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 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-4476343-A Olefin oligomerization with tantalum halide/oxide-metal oxide catalysts SHELL OIL COMPANY (US) 1984-10-09 US disclosed
US-4146507-A Novel cyclohexene-3-nitriles in perfume compositions POLAK'S FRUTAL WORKS, INC. (US) 1979-03-27 US disclosed