⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25054727 | 0.90 | — | — | |
| SCHEMBL25054741 | 0.89 | SCN9A (0.35) | — | |
| SCHEMBL25054700 | 0.87 | — | — | |
| SCHEMBL24627065 | 0.86 | — | — | |
| SCHEMBL25054768 | 0.86 | — | — | |
| SCHEMBL25054737 | 0.85 | ALDH1A1 (0.36) | — | |
| SCHEMBL25054807 | 0.85 | KDM4E (0.33) | — | |
| SCHEMBL25054695 | 0.85 | — | — | |
| SCHEMBL25054734 | 0.83 | — | — | |
| SCHEMBL25054890 | 0.83 | NR3C1 (0.31) | — |
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-11588115-B2 | Nitrogen-containing compound, organic electroluminescent device and electronic apparatus | SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) | 2023-02-21 | — | — | US | disclosed |