⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29968651 | 1.00 | — | — | |
| SCHEMBL23648336 | 0.78 | — | — | |
| SCHEMBL23648086 | 0.73 | — | — | |
| SCHEMBL23648076 | 0.70 | — | — | |
| SCHEMBL21624102 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL21624101 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL30006785 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL21624317 | 0.66 | CES1 (0.33) | — | |
| SCHEMBL21624318 | 0.66 | CES1 (0.33) | — | |
| SCHEMBL21636837 | 0.66 | CES1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2021144440-A1 | QUINOXALINE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR | Grünenthal GmbH (DE) | 2021-07-22 | — | — | WO | disclosed |