⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5143308 | 0.73 | CA12 (0.33) | — | |
| SCHEMBL11049479 | 0.72 | — | — | |
| SCHEMBL1648167 | 0.68 | — | — | |
| SCHEMBL4854134 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL11689173 | 0.62 | RAB9A (0.33) | — | |
| SCHEMBL7017816 | 0.62 | — | — | |
| SCHEMBL12771423 | 0.58 | — | — | |
| SCHEMBL16668857 | 0.57 | — | — | |
| SCHEMBL1504163 | 0.57 | — | — | |
| SCHEMBL27779122 | 0.57 | — | — |
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 6 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 |