⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8588003 | 0.87 | — | — | |
| SCHEMBL379671 | 0.87 | — | — | |
| SCHEMBL216685 | 0.75 | — | — | |
| SCHEMBL17711033 | 0.75 | — | — | |
| SCHEMBL15398526 | 0.75 | — | — | |
| SCHEMBL2897143 | 0.75 | — | — | |
| SCHEMBL7729 | 0.71 | — | — | |
| SCHEMBL5488590 | 0.71 | — | — | |
| SCHEMBL6475092 | 0.71 | — | — | |
| SCHEMBL1188574 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8104484-B2 | Smoking articles and smoking materials | BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) | 2012-01-31 | — | — | US | disclosed |
| EP-1750838-B1 | SMOKING ARTICLES INCLUDING GOLD CATALYST | BRITISH AMERICAN TOBACCO CO (GB) | 2011-04-06 | — | — | EP | disclosed |
| US-20070215166-A1 | Smoking Articles and Smoking Materials | BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) | 2007-09-20 | — | — | US | disclosed |
| EP-1750838-A2 | SMOKING ARTICLES INCLUDING GOLD CATALYST | British American Tobacco (Investments) Limited (GB) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005118133-A2 | SMOKING ARTICLES INCLUDING GOLD CATALYST | BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) | 2005-12-15 | — | — | WO | disclosed |