⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21254469 | 0.72 | — | — | |
| SCHEMBL9753142 | 0.72 | HTT (0.44) | — | |
| SCHEMBL1492690 | 0.70 | — | — | |
| SCHEMBL42115 | 0.70 | — | — | |
| SCHEMBL8093890 | 0.70 | OPRM1 (0.47) | — | |
| SCHEMBL2234212 | 0.69 | ARG1 (0.32) | — | |
| SCHEMBL27173431 | 0.69 | MAOB (0.35) | — | |
| SCHEMBL7095956 | 0.68 | — | — | |
| SCHEMBL7741012 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL7307173 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022237849-A1 | NMDA RECEPTOR ANTAGONIST AND USE THEREOF | 中国科学院上海有机化学研究所 | 2022-11-17 | — | — | WO | disclosed |