⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30006215 | 0.85 | — | — | |
| SCHEMBL23344125 | 0.85 | — | — | |
| SCHEMBL21624139 | 0.85 | — | — | |
| SCHEMBL23344127 | 0.85 | — | — | |
| SCHEMBL21636456 | 0.79 | — | — | |
| SCHEMBL21624203 | 0.78 | — | — | |
| SCHEMBL21636536 | 0.77 | PGR (0.31) | — | |
| SCHEMBL23344122 | 0.76 | — | — | |
| SCHEMBL23344132 | 0.76 | — | — | |
| SCHEMBL29820914 | 0.76 | PGR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |