⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11054874 | 1.00 | — | — | |
| SCHEMBL11360759 | 0.81 | — | — | |
| SCHEMBL11360756 | 0.81 | — | — | |
| SCHEMBL16356370 | 0.79 | — | — | |
| SCHEMBL11362740 | 0.76 | — | — | |
| SCHEMBL11535719 | 0.76 | — | — | |
| SCHEMBL19265329 | 0.74 | — | — | |
| SCHEMBL11053913 | 0.73 | — | — | |
| SCHEMBL11053911 | 0.73 | — | — | |
| SCHEMBL4834120 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4471789-A | Aliphatic branched olefin dioxolanes, dithiolanes, and oxathiolanes and uses thereof in augmenting or enhancing the aroma and/or taste of consumable materials | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-09-18 | — | — | US | disclosed |
| US-4390462-A | Aliphatic branched olefin dioxolanes, dithiolanes, and oxathiolanes and uses thereof in augmenting or enhancing the aroma and/or taste of consumable materials | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-06-28 | — | — | US | disclosed |
| US-4381243-A | Aliphatic branched olefin dioxolanes, dithiolanes, and oxathiolanes and uses thereof in augmenting or enhancing the aroma and/or taste of consumable materials | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-04-26 | — | — | US | disclosed |
| US-4379754-A | Aliphatic branched olefin dioxolanes, dithiolanes, and oxathiolanes and uses thereof in augmenting or enhancing the aroma and/or taste of consumable materials | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-04-12 | — | — | US | disclosed |
| US-4374998-A | PERFUMES, TASTES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-02-22 | — | — | US | disclosed |
| US-4315952-A | Flavoring with dioxolanes | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-02-16 | — | — | US | disclosed |
| US-4289700-A | CHEWING GUM, DENTIFRICES, MEDICINALS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-09-15 | — | — | US | disclosed |
| US-4198393-A | DENTRIFIRICES, SYNERGISTIC | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1980-04-15 | — | — | US | disclosed |
| US-4159347-A | ETHYLENE GLYCOL OR 1,2-PROPYLENE GLYCOL ACETAL | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-06-26 | — | — | US | disclosed |