Novel cyclic acetal compounds with aldehyde or ketone functionalities and uses thereof
AssigneeStructure Holdings LLC
InventorsSean William Raspet, Shengping Zheng, Sihan Li
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AssigneeStructure Holdings LLC
InventorsSean William Raspet, Shengping Zheng, Sihan Li
Estimating the term…
Novel molecules and novel fragrance molecules are disclosed, with the series of related molecules all containing a cyclic acetal or dioxepane sub-structure in combination with a carbonyl sub-structure and a cyclic structure which may be a phenyl or non-phenyl substituent. The molecules may contain further substitutions or modifications. The molecules compose or modify the sensory qualities of a fragrance, flavor, or a scented or flavored product. Further information is given on the predicted olfactory receptor activity of the invention and a method for composing novel molecular structures with regard to particular receptors of interest in order to improve the pleasantness, multidimensionality, and utility of olfactory molecules.
1) A compound of formula I:
10) A compound of formula II:
21) A method for improving or modifying the olfactory properties of a starting molecule that contains an aldehyde or ketone functional group by converting said aldehyde or ketone to a dioxolane, dioxane or dioxepane structure wherein said dioxolane, dioxane or dioxepane structure also has a carbonyl moiety associated with the dioxolane, dioxane or dioxepane structure or that is part of a separate ketone or C1-3 aldehyde functionality directly bonded to the dioxolane, dioxane or dioxepane structure.
22) A method of developing one or more odorous compounds via in silico docking, said method comprising using data pertaining to a spatial relationship of atoms at an active site of an olfactory receptor, using computer docking software to place candidate compounds in the active site of the olfactory receptor, and instructing the computer docking software to perform calculations to ascertain binding affinity, electrostatic relationships and/or spatial relationships between the candidate compounds and the olfactory receptor.
Dependencies are inferred from the claim text.