⚠ 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 | 1.00 | — | — | |
| SCHEMBL23647757 | 0.93 | — | — | |
| SCHEMBL21624341 | 0.79 | MOGAT2 (0.38) | — | |
| SCHEMBL21624367 | 0.79 | CES1 (0.39) | — | |
| SCHEMBL21624382 | 0.78 | PDK2 (0.32) | — | |
| SCHEMBL21624357 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL21624343 | 0.78 | — | — | |
| SCHEMBL21624370 | 0.78 | PDK1 (0.31) | — | |
| SCHEMBL21624319 | 0.78 | NR3C1 (0.31) | — | |
| SCHEMBL21624325 | 0.77 | — | — |
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 |