⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16410684 | 0.68 | — | — | |
| SCHEMBL16410695 | 0.67 | — | — | |
| SCHEMBL16410849 | 0.66 | — | — | |
| SCHEMBL16410744 | 0.57 | ACAT2 (0.31) | — | |
| SCHEMBL14530040 | 0.55 | TP53 (0.42) | — | |
| SCHEMBL13887515 | 0.55 | GRIN2D (0.43) | — | |
| SCHEMBL14872978 | 0.55 | PDE2A (0.39) | — | |
| SCHEMBL19523655 | 0.53 | CYP19A1 (0.45) | — | |
| SCHEMBL26610945 | 0.53 | PNMT (0.48) | — | |
| SCHEMBL14570167 | 0.52 | TP53 (0.46) | — |
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 |