⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18665762 | 1.00 | — | — | |
| SCHEMBL13687380 | 1.00 | — | — | |
| SCHEMBL10015948 | 1.00 | — | — | |
| SCHEMBL12943459 | 1.00 | — | — | |
| SCHEMBL8232415 | 1.00 | — | — | |
| SCHEMBL23906711 | 1.00 | — | — | |
| SCHEMBL8445952 | 0.72 | — | — | |
| SCHEMBL13548348 | 0.70 | — | — | |
| SCHEMBL15289260 | 0.70 | — | — | |
| SCHEMBL24621376 | 0.70 | — | — |
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-1871819-B1 | TONER | BATTELLE MEMORIAL INSTITUTE (US) | 2015-04-22 | — | — | EP | disclosed |