SCHEMBL310505

SCHEMBL310505

CC(=O)[C@H]1[C@H](C)C=CCC1(C)C

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
SCHEMBL310504 1.00
SCHEMBL6908112 1.00
SCHEMBL823015 1.00
SCHEMBL812572 1.00
SCHEMBL4596223 0.84 POLB (0.37)
SCHEMBL3134415 0.84 POLB (0.37)
SCHEMBL4596221 0.84 POLB (0.37)
SCHEMBL4594575 0.84 POLB (0.37)
SCHEMBL4594573 0.84 POLB (0.37)
SCHEMBL18952642 0.80

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
WO-2025120108-A1 ISOMERIZATION PROCESS FIRMENICH SA (CH) 2025-06-12 WO claimed
EP-2373606-B1 PROCESSES FOR EPIMERIZING CYCLOHEXENYL KETONES WITH SUBSEQUENT ALDOL CONDENSATION TO PRODUCE FRAGRANCE COMPOUNDS PROCTER & GAMBLE (US) 2016-03-09 EP claimed
EP-1697290-B1 PROCESS FOR THE ISOMERISATION OF A CYCLOHEXENYL ALKYL OR ALKENYL KETONE FIRMENICH & CIE (CH) 2012-09-12 EP claimed
US-8093432-B2 Processes for epimerizing cyclohexenyl ketones with subsequent aldol condensation to produce fragrance compounds THE PROCTER & GAMBLE COMPANY (US) 2012-01-10 US claimed
US-8067644-B2 Process for conducting an organic reaction in ionic liquids THE PROCTER & GAMBLE COMPANY (US) 2011-11-29 US claimed
EP-2370387-A2 PROCESS FOR CONDUCTING AN ORGANIC REACTION IN IONIC LIQUIDS The Procter & Gamble Company (US) 2011-10-05 EP claimed
US-20110152566-A1 Process for Conducting an Organic Reaction in Ionic Liquids THE PROCTER & GAMBLE COMPANY 2011-06-23 US claimed
US-20110152575-A1 Processes for Epimerizing Cyclohexenyl Ketones with Subsequent Aldol Condensation to Produce Fragrance Compounds THE PROCTER & GAMBLE COMPANY 2011-06-23 US claimed
WO-2010080505-A2 PROCESS FOR CONDUCTING AN ORGANIC REACTION IN IONIC LIQUIDS THE PROCTER & GAMBLE COMPANY (US) 2010-07-15 WO claimed
WO-2025125532-A1 PERFUME INGREDIENTS AND COMPOSITIONS CONTAINING THEM GIVAUDAN SA (CH) 2025-06-19 WO disclosed
WO-2025120108-A1 ISOMERIZATION PROCESS FIRMENICH SA (CH) 2025-06-12 WO disclosed
EP-2373606-B1 PROCESSES FOR EPIMERIZING CYCLOHEXENYL KETONES WITH SUBSEQUENT ALDOL CONDENSATION TO PRODUCE FRAGRANCE COMPOUNDS PROCTER & GAMBLE (US) 2016-03-09 EP disclosed
EP-1697290-B1 PROCESS FOR THE ISOMERISATION OF A CYCLOHEXENYL ALKYL OR ALKENYL KETONE FIRMENICH & CIE (CH) 2012-09-12 EP disclosed
US-8093432-B2 Processes for epimerizing cyclohexenyl ketones with subsequent aldol condensation to produce fragrance compounds THE PROCTER & GAMBLE COMPANY (US) 2012-01-10 US disclosed
US-6822121-B2 CHEMICAL INTERMEDIATE FOR DAMASCONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-11-23 US disclosed
US-20020004615-A1 Production process of cyclohexenyl ketones TAKASAGO INTERNATIONAL CORPORATION 2002-01-10 US disclosed
EP-1162190-A2 Production process of cyclohexenyl methyl ketones Takasago International Corporation (JP) 2001-12-12 EP disclosed
US-4334098-A Trans,trans-Δ-damascone, mixtures containing major proportions of same, processes for preparing same and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-06-08 US disclosed
US-4211242-A Composition of matter comprising more than 50% trans, trans-Δ-damascone for augmenting or enhancing the aroma and taste of a smoking tobacco INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-07-08 US disclosed
US-4198309-A Use of trans, trans-Δ-damascone and mixtures containing 80% or more of trans, trans-Δ-damascone in augmenting or enhancing the aroma of a detergent INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-04-15 US disclosed