⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3671331 | 0.48 | NOS3 (0.44) | — | |
| SCHEMBL20577626 | 0.47 | AVPR1A (0.36) | — | |
| SCHEMBL874915 | 0.47 | CCR1 (0.46) | — | |
| SCHEMBL27333834 | 0.46 | CCR1 (0.44) | — | |
| SCHEMBL28308505 | 0.46 | CCR1 (0.44) | — | |
| Water SCHEMBL28540792 | 0.46 | CCR1 (0.44) | — | |
| Iodide SCHEMBL28183168 | 0.46 | CCR1 (0.44) | — | |
| Ammonia Solution, Strong SCHEMBL28562820 | 0.46 | CCR1 (0.44) | — | |
| SCHEMBL12319209 | 0.45 | NOS3 (0.38) | — | |
| SCHEMBL27109628 | 0.45 | CCR1 (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 |