⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22116319 | 0.87 | — | — | |
| SCHEMBL380749 | 0.87 | — | — | |
| SCHEMBL1829070 | 0.84 | — | — | |
| SCHEMBL21591045 | 0.84 | — | — | |
| SCHEMBL16012878 | 0.79 | HTR2C (0.30) | — | |
| SCHEMBL17048746 | 0.74 | — | — | |
| SCHEMBL19462513 | 0.73 | — | — | |
| SCHEMBL1830501 | 0.70 | — | — | |
| SCHEMBL8309792 | 0.70 | HTR2C (0.30) | — | |
| SCHEMBL3945687 | 0.68 | — | — |
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-2051712-A2 | MODULATORS OF MUSCARINIC RECEPTORS | Vertex Pharmceuticals Incorporated (US) | 2009-04-29 | — | — | EP | disclosed |
| WO-2008021375-A2 | MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-02-21 | — | — | WO | disclosed |