⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28026111 | 0.78 | — | — | |
| SCHEMBL5932963 | 0.75 | — | — | |
| SCHEMBL28878222 | 0.75 | — | — | |
| SCHEMBL28065226 | 0.71 | — | — | |
| SCHEMBL20628210 | 0.71 | — | — | |
| SCHEMBL27789838 | 0.71 | — | — | |
| SCHEMBL1059901 | 0.69 | — | — | |
| SCHEMBL13292575 | 0.69 | — | — | |
| SCHEMBL18901885 | 0.69 | — | — | |
| SCHEMBL9468195 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013035070-A1 | OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 2013-03-14 | — | — | WO | disclosed |
| EP-0982296-B1 | Perfuming and flavouring agents | DRAGOCO GERBERDING CO AG (DE) | 2002-12-18 | — | — | EP | disclosed |
| US-6303173-B1 | AS FOOD FLAVORS | DRAGOCO GERBERDING & CO. AG (DE) | 2001-10-16 | — | — | US | disclosed |
| EP-0982296-A1 | Perfuming and flavouring agents | Dragoco Gerberding & Co. GmbH (DE) | 2000-03-01 | — | — | EP | disclosed |