⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23648089 | 1.00 | — | — | |
| SCHEMBL23658430 | 0.84 | — | — | |
| SCHEMBL21624203 | 0.79 | — | — | |
| SCHEMBL21624394 | 0.79 | — | — | |
| SCHEMBL23647738 | 0.77 | — | — | |
| SCHEMBL30005972 | 0.77 | — | — | |
| SCHEMBL23658919 | 0.76 | — | — | |
| SCHEMBL21624139 | 0.75 | — | — | |
| SCHEMBL30006215 | 0.75 | — | — | |
| SCHEMBL30006237 | 0.74 | NR3C1 (0.44) | — |
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 |