⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21624363 | 0.93 | — | — | |
| SCHEMBL23647755 | 0.79 | MOGAT2 (0.38) | — | |
| SCHEMBL23648159 | 0.78 | — | — | |
| SCHEMBL23648074 | 0.78 | PDK2 (0.32) | — | |
| SCHEMBL23658650 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL23658829 | 0.78 | AR (0.38) | — | |
| SCHEMBL21624367 | 0.75 | CES1 (0.39) | — | |
| SCHEMBL21624370 | 0.75 | PDK1 (0.31) | — | |
| SCHEMBL21624382 | 0.75 | PDK2 (0.32) | — | |
| SCHEMBL21624357 | 0.75 | ALDH1A1 (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 6 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 |
| US-20220396578-A1 | QUINOXALINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2022-12-15 | — | — | US | disclosed |
| EP-4090660-A1 | QUINOXALINE DERIVATIVES | Grünenthal GmbH (DE) | 2022-11-23 | — | — | EP | disclosed |
| WO-2021144439-A1 | QUINOXALINE DERIVATIVES | Grünenthal GmbH (DE) | 2021-07-22 | — | — | WO | disclosed |
| WO-2021144439-A1 | QUINOXALINE DERIVATIVES | Grünenthal GmbH (DE) | 2021-07-22 | — | — | WO | disclosed |