⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24245769 | 1.00 | — | — | |
| SCHEMBL10086112 | 1.00 | — | — | |
| SCHEMBL25813085 | 1.00 | — | — | |
| SCHEMBL10086113 | 1.00 | — | — | |
| SCHEMBL18789478 | 1.00 | — | — | |
| SCHEMBL21064733 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL24245829 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL13837999 | 0.87 | — | — | |
| SCHEMBL12896336 | 0.83 | — | — | |
| SCHEMBL10086045 | 0.83 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11634402-B2 | (3aS,4aR,5S,7aS,9R,9aR)-2,2,5,8,8,9a-hexamethyloctahydro-4H-4a,9-methanoazuleno[5,6-d][1,3]dioxole | GIVAUDAN SA (CH) | 2023-04-25 | — | — | US | disclosed |
| US-20220041569-A1 | (3aS,4aR,5S,7aS,9R,9aR)-2,2,5,8,8,9a-hexamethyloctahydro-4H-4a,9-methanoazuleno[5,6-d][1,3]dioxole | GIVAUDAN S.A. (CH) | 2022-02-10 | — | — | US | disclosed |
| US-11066625-B2 | Blends containing enantiomerically pure Ambrocenide® | SYMRISE AG (DE) | 2021-07-20 | — | — | US | disclosed |
| US-10526563-B2 | Mixtures having (4aR,5R,7aS,9R)-octahydro-2,2,5,8,8,9a-hexamethyl-4H-4a,9-methanoazuleno(5,6-d)-1,3-dioxole)(Ambrocenide®) | SYMRISE AG (DE) | 2020-01-07 | — | — | US | disclosed |
| US-20170114299-A1 | New mixtures having (4aR,5R,7aS,9R)-octahydro-2,2,5,8,8,9a-hexamethyl-4H-4a,9-methanoazuleno(5,6-d)-1,3-dioxole)(Ambrocenide®) | SYMRISE AG (DE) | 2017-04-27 | — | — | US | disclosed |
| EP-2287158-B1 | Ambergris Odorous Substance based on 9-Methanoazuleno(5,6-d)-1,3-dioxoles | SYMRISE AG (DE) | 2012-11-14 | — | — | EP | disclosed |
| EP-2287158-A1 | Ambergris Odorous Substance based on 9-Methanoazuleno(5,6-d)-1,3-dioxoles | Symrise AG (DE) | 2011-02-23 | — | — | EP | disclosed |