⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30005987 | 1.00 | — | — | |
| SCHEMBL30005645 | 0.89 | — | — | |
| SCHEMBL23648088 | 0.89 | — | — | |
| SCHEMBL24767040 | 0.86 | — | — | |
| SCHEMBL23647842 | 0.85 | NR3C1 (0.44) | — | |
| SCHEMBL30006237 | 0.85 | NR3C1 (0.44) | — | |
| SCHEMBL30006121 | 0.81 | REN (0.36) | — | |
| SCHEMBL23658431 | 0.81 | REN (0.36) | — | |
| SCHEMBL23647964 | 0.79 | REN (0.31) | — | |
| SCHEMBL30006347 | 0.79 | REN (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4090660-B1 | QUINOXALINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2024-01-31 | — | — | EP | disclosed |
| US-20220396578-A1 | QUINOXALINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2022-12-15 | — | — | US | disclosed |
| WO-2021144439-A1 | QUINOXALINE DERIVATIVES | Grünenthal GmbH (DE) | 2021-07-22 | — | — | WO | disclosed |