⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1505887 | 0.78 | — | — | |
| SCHEMBL3083511 | 0.78 | — | — | |
| SCHEMBL13746462 | 0.66 | — | — | |
| SCHEMBL16225031 | 0.63 | — | — | |
| SCHEMBL3974270 | 0.63 | — | — | |
| SCHEMBL16216271 | 0.62 | — | — | |
| SCHEMBL247395 | 0.62 | — | — | |
| SCHEMBL6515062 | 0.62 | — | — | |
| SCHEMBL7099115 | 0.61 | — | — | |
| SCHEMBL12931159 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110178258-A1 | Supported Ionic Liquids or Activating Supposrts | TOTAL PETROCHEMICALS RESEARCH FELUY (BE) | 2011-07-21 | — | — | US | disclosed |