⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3002852 | 1.00 | — | — | |
| SCHEMBL6048216 | 0.78 | — | — | |
| SCHEMBL18316486 | 0.78 | — | — | |
| SCHEMBL3636782 | 0.78 | — | — | |
| SCHEMBL3636786 | 0.78 | — | — | |
| SCHEMBL30094372 | 0.74 | — | — | |
| SCHEMBL29130628 | 0.73 | — | — | |
| SCHEMBL11715310 | 0.72 | — | — | |
| SCHEMBL28428373 | 0.68 | PTPN2 (0.33) | — | |
| SCHEMBL28616956 | 0.68 | ALDH1A1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2197823-B1 | DECALINE DERIVATIVES AS PERFUMING INGREDIENTS | FIRMENICH & CIE (CH) | 2012-11-14 | — | — | EP | disclosed |
| US-20100189672-A1 | DECALINE DERIVATIVES AS PERFUMING INGREDIENTS | FIRMENICH SA (CH) | 2010-07-29 | — | — | US | disclosed |
| EP-2197823-A1 | DECALINE DERIVATIVES AS PERFUMING INGREDIENTS | Firmenich S.A. (CH) | 2010-06-23 | — | — | EP | disclosed |
| WO-2009044310-A1 | DECALINE DERIVATIVES AS PERFUMING INGREDIENTS | FIRMENICH SA (CH) | 2009-04-09 | — | — | WO | disclosed |
| US-4028278-A | Cycloaliphatic unsaturated ketones as fragrance modifying agents | FIRMENICH S.A. (CH) | 1977-06-07 | — | — | US | disclosed |