⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29587059 | 0.59 | — | — | |
| SCHEMBL114662 | 0.59 | — | — | |
| SCHEMBL29126807 | 0.56 | — | — | |
| SCHEMBL6301816 | 0.56 | — | — | |
| SCHEMBL596755 | 0.56 | — | — | |
| SCHEMBL736781 | 0.56 | — | — | |
| SCHEMBL13083823 | 0.56 | — | — | |
| Ethylene Glycol SCHEMBL29705875 | 0.54 | — | — | |
| SCHEMBL119772 | 0.54 | — | — | |
| SCHEMBL242435 | 0.54 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |