⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7517397 | 0.87 | — | — | |
| SCHEMBL5532673 | 0.87 | — | — | |
| SCHEMBL7528956 | 0.87 | — | — | |
| SCHEMBL13369578 | 0.85 | — | — | |
| Acetonitrile SCHEMBL9141167 | 0.70 | — | — | |
| SCHEMBL6426975 | 0.69 | — | — | |
| SCHEMBL17203423 | 0.69 | — | — | |
| SCHEMBL6647794 | 0.69 | — | — | |
| Phosphine SCHEMBL28003754 | 0.69 | — | — | |
| SCHEMBL28580390 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109503454-A | A kind of preparation method of Benzazole compounds | 北京化工大学 | 2019-03-22 | — | — | CN | disclosed |