⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16410813 | 0.74 | AMPD2 (0.33) | — | |
| SCHEMBL16410823 | 0.65 | AMPD2 (0.34) | — | |
| SCHEMBL16410869 | 0.65 | GAA (0.33) | — | |
| SCHEMBL16410814 | 0.64 | — | — | |
| SCHEMBL16410684 | 0.62 | — | — | |
| SCHEMBL16410849 | 0.62 | — | — | |
| SCHEMBL16410660 | 0.62 | TAAR1 (0.32) | — | |
| SCHEMBL16410844 | 0.60 | — | — | |
| SCHEMBL16410726 | 0.59 | ALDH1A1 (0.32) | — | |
| SCHEMBL16410731 | 0.57 | KDM4E (0.30) | — |
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 |