⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22790104 | 0.87 | — | — | |
| SCHEMBL11725542 | 0.83 | NR1H3 (0.33) | — | |
| SCHEMBL10708360 | 0.81 | TRPA1 (0.36) | — | |
| SCHEMBL10708368 | 0.81 | TRPA1 (0.36) | — | |
| SCHEMBL1044707 | 0.80 | CYP17A1 (0.32) | — | |
| SCHEMBL2425728 | 0.79 | — | — | |
| SCHEMBL2425760 | 0.78 | — | — | |
| SCHEMBL10707376 | 0.77 | — | — | |
| SCHEMBL10707380 | 0.77 | — | — | |
| SCHEMBL22773977 | 0.75 | GPBAR1 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |