⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23647908 | 1.00 | — | — | |
| SCHEMBL30006228 | 0.82 | — | — | |
| SCHEMBL23647899 | 0.82 | — | — | |
| SCHEMBL30668484 | 0.82 | — | — | |
| SCHEMBL30005652 | 0.82 | — | — | |
| SCHEMBL23648140 | 0.78 | — | — | |
| SCHEMBL30006028 | 0.78 | — | — | |
| SCHEMBL23647966 | 0.72 | — | — | |
| SCHEMBL29968867 | 0.72 | — | — | |
| SCHEMBL23658430 | 0.72 | — | — |
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 |