⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21624156 | 1.00 | — | — | |
| SCHEMBL21624163 | 0.90 | — | — | |
| SCHEMBL30559942 | 0.90 | — | — | |
| SCHEMBL21636462 | 0.90 | — | — | |
| SCHEMBL23344133 | 0.87 | AVPR1A (0.31) | — | |
| SCHEMBL21624142 | 0.87 | — | — | |
| SCHEMBL23344132 | 0.85 | — | — | |
| SCHEMBL21624166 | 0.85 | CYP11B1 (0.31) | — | |
| SCHEMBL23344125 | 0.85 | — | — | |
| SCHEMBL21636471 | 0.85 | — | — |
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-4090660-A1 | QUINOXALINE DERIVATIVES | Grünenthal GmbH (DE) | 2022-11-23 | — | — | EP | disclosed |