⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16410757 | 0.73 | — | — | |
| SCHEMBL16410797 | 0.72 | — | — | |
| SCHEMBL16410849 | 0.70 | — | — | |
| SCHEMBL16410743 | 0.64 | — | — | |
| SCHEMBL16410813 | 0.62 | AMPD2 (0.33) | — | |
| SCHEMBL16410684 | 0.57 | — | — | |
| SCHEMBL16410741 | 0.54 | PDE7A (0.33) | — | |
| SCHEMBL16410869 | 0.53 | GAA (0.33) | — | |
| SCHEMBL28575163 | 0.53 | KAT2B (0.40) | — | |
| SCHEMBL16473570 | 0.53 | KAT2B (0.40) | — |
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-2015007730-A1 | SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2015-01-22 | — | — | WO | disclosed |