⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11883330 | 0.81 | — | — | |
| SCHEMBL11883327 | 0.81 | — | — | |
| SCHEMBL27705778 | 0.76 | GSR (0.32) | — | |
| SCHEMBL9012991 | 0.74 | — | — | |
| SCHEMBL14639670 | 0.74 | — | — | |
| SCHEMBL10347298 | 0.73 | — | — | |
| SCHEMBL10347577 | 0.73 | — | — | |
| SCHEMBL10347297 | 0.73 | — | — | |
| SCHEMBL10347576 | 0.73 | — | — | |
| SCHEMBL1785510 | 0.73 | — | — |
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-2374455-A2 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-10-12 | — | — | EP | disclosed |