⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21624391 | 1.00 | — | — | |
| SCHEMBL30005652 | 0.85 | — | — | |
| SCHEMBL21624323 | 0.85 | — | — | |
| SCHEMBL30668459 | 0.79 | AVPR1A (0.34) | — | |
| SCHEMBL21624301 | 0.79 | AVPR1A (0.34) | — | |
| SCHEMBL21624348 | 0.79 | — | — | |
| SCHEMBL30559952 | 0.79 | — | — | |
| SCHEMBL21624311 | 0.79 | CYP11B1 (0.33) | — | |
| SCHEMBL21624184 | 0.79 | — | — | |
| SCHEMBL30005792 | 0.79 | 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 1 patent. 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 |