⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29821500 | 1.00 | — | — | |
| SCHEMBL21624192 | 0.84 | — | — | |
| SCHEMBL21624190 | 0.84 | — | — | |
| SCHEMBL29821185 | 0.83 | — | — | |
| SCHEMBL21636303 | 0.83 | — | — | |
| SCHEMBL21636304 | 0.82 | ALDH1A1 (0.42) | — | |
| SCHEMBL29821340 | 0.82 | ALDH1A1 (0.42) | — | |
| SCHEMBL21623988 | 0.82 | — | — | |
| SCHEMBL21623989 | 0.82 | — | — | |
| SCHEMBL21624330 | 0.81 | AR (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20210139488-A1 | SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES | Grünethal GmbH (DE) | 2021-05-13 | — | — | US | disclosed |
| WO-2020016453-A1 | SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES | Grünenthal GmbH (DE) | 2020-01-23 | — | — | WO | disclosed |