⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21624144 | 1.00 | — | — | |
| SCHEMBL23658391 | 0.86 | — | — | |
| SCHEMBL29968644 | 0.86 | — | — | |
| SCHEMBL29968384 | 0.81 | MOGAT2 (0.33) | — | |
| SCHEMBL21624088 | 0.81 | MOGAT2 (0.33) | — | |
| SCHEMBL21624193 | 0.75 | TGM2 (0.33) | — | |
| SCHEMBL21624008 | 0.70 | — | — | |
| SCHEMBL23658709 | 0.70 | MGAT2 (0.37) | — | |
| SCHEMBL21624021 | 0.69 | IDO1 (0.31) | — | |
| SCHEMBL23648684 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112673009-B | Substituted triazoloquinoxaline derivatives | 格吕伦塔尔有限公司 | 2023-09-19 | — | — | CN | disclosed |
| EP-4090661-A1 | QUINOXALINE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR | Grünenthal GmbH (DE) | 2022-11-23 | — | — | EP | disclosed |