⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23183240 | 0.78 | NISCH (0.31) | — | |
| SCHEMBL5804394 | 0.75 | — | — | |
| SCHEMBL8267341 | 0.75 | — | — | |
| SCHEMBL13662415 | 0.70 | — | — | |
| SCHEMBL13017767 | 0.68 | — | — | |
| SCHEMBL25738346 | 0.67 | — | — | |
| SCHEMBL9977635 | 0.67 | — | — | |
| SCHEMBL9977645 | 0.65 | — | — | |
| SCHEMBL23395238 | 0.65 | — | — | |
| SCHEMBL9977705 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012083224-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2012-06-21 | — | — | WO | disclosed |