⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17336749 | 0.91 | — | — | |
| SCHEMBL17336748 | 0.91 | — | — | |
| SCHEMBL17348235 | 0.91 | — | — | |
| SCHEMBL17336861 | 0.84 | — | — | |
| SCHEMBL17336745 | 0.82 | — | — | |
| SCHEMBL29446512 | 0.82 | — | — | |
| SCHEMBL17336838 | 0.82 | — | — | |
| SCHEMBL29446505 | 0.80 | — | — | |
| SCHEMBL19196004 | 0.77 | — | — | |
| SCHEMBL19181118 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9969726-B2 | Metabotropic glutamate receptor negative allosteric modulators (NAMS) and uses thereof | SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) | 2018-05-15 | — | — | US | disclosed |