⚠ 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 | — | — | |
| SCHEMBL25813085 | 1.00 | — | — | |
| SCHEMBL12897119 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200172830-A1 | BLENDS CONTAINING ENANTIOMERICALLY PURE AMBROCENIDE® | SYMRISE AG (DE) | 2020-06-04 | — | — | US | disclosed |
| US-20120077722-A1 | AMBERGRIS FRAGRANCE | SYMRISE AG (DE) | 2012-03-29 | — | — | US | 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 |
| EP-1947166-B1 | Mixtures of 3-(4-methyl-cyclohex-3-enyl)-butyraldehyde and Ambrocenide and their uses and method | SYMRISE AG (DE) | 2011-01-19 | — | — | EP | disclosed |