⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21624323 | 1.00 | — | — | |
| SCHEMBL30006224 | 0.86 | — | — | |
| SCHEMBL21624306 | 0.86 | — | — | |
| SCHEMBL21624311 | 0.85 | CYP11B1 (0.33) | — | |
| SCHEMBL30005469 | 0.85 | MEN1 (0.33) | — | |
| SCHEMBL21624293 | 0.85 | MEN1 (0.33) | — | |
| SCHEMBL30668458 | 0.85 | — | — | |
| SCHEMBL21624391 | 0.85 | — | — | |
| SCHEMBL21624359 | 0.85 | — | — | |
| SCHEMBL30005792 | 0.85 | CYP11B1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112771046-B | Other substituted triazoloquinoxaline derivatives | 格吕伦塔尔有限公司 | 2023-09-19 | — | — | CN | 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 |