⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15114808 | 1.00 | — | — | |
| SCHEMBL14393081 | 1.00 | — | — | |
| SCHEMBL1066235 | 1.00 | — | — | |
| SCHEMBL9975558 | 1.00 | — | — | |
| SCHEMBL18733374 | 1.00 | — | — | |
| SCHEMBL6062449 | 0.86 | POLB (0.32) | — | |
| SCHEMBL9218138 | 0.85 | POLB (0.33) | — | |
| SCHEMBL1266442 | 0.84 | POLB (0.35) | — | |
| SCHEMBL7030251 | 0.83 | ADH1B (0.32) | — | |
| SCHEMBL32688904 | 0.77 | POLB (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8445727-B2 | Bicyclo-ketones as perfuming ingredients | FIRMENICH SA (CH) | 2013-05-21 | — | — | US | disclosed |
| US-20130045906-A1 | BICYCLO-KETONES AS PERFUMING INGREDIENTS | FIRMENICH SA (CH) | 2013-02-21 | — | — | US | disclosed |