⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7340236 | 0.79 | — | — | |
| SCHEMBL2636758 | 0.73 | — | — | |
| SCHEMBL20240883 | 0.71 | — | — | |
| SCHEMBL7821844 | 0.70 | — | — | |
| SCHEMBL1523171 | 0.70 | CYP2D6 (0.30) | — | |
| SCHEMBL4694810 | 0.69 | — | — | |
| SCHEMBL7857026 | 0.69 | — | — | |
| SCHEMBL1831958 | 0.69 | — | — | |
| SCHEMBL3387366 | 0.68 | — | — | |
| SCHEMBL22471599 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2488520-A1 | CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR | MSD Oss B.V. (NL) | 2012-08-22 | — | — | EP | disclosed |
| WO-2011045258-A1 | CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR | N.V. ORGANON (NL) | 2011-04-21 | — | — | WO | disclosed |