⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14393467 | 0.74 | — | — | |
| SCHEMBL9930248 | 0.70 | — | — | |
| SCHEMBL31257627 | 0.70 | — | — | |
| SCHEMBL13178737 | 0.61 | — | — | |
| SCHEMBL9908321 | 0.61 | — | — | |
| SCHEMBL12109588 | 0.61 | — | — | |
| SCHEMBL11993897 | 0.60 | — | — | |
| SCHEMBL1071315 | 0.60 | — | — | |
| SCHEMBL12163091 | 0.60 | — | — | |
| SCHEMBL13146342 | 0.60 | — | — |
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-2473048-B1 | PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2015-03-25 | — | — | EP | disclosed |