⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16410767 | 0.82 | ACAT2 (0.43) | — | |
| SCHEMBL16410726 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL16410787 | 0.79 | ACAT2 (0.33) | — | |
| SCHEMBL16410788 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL16410728 | 0.77 | ACAT2 (0.42) | — | |
| SCHEMBL16410789 | 0.75 | ACAT2 (0.38) | — | |
| SCHEMBL16410766 | 0.75 | ACAT2 (0.47) | — | |
| SCHEMBL16410617 | 0.73 | ACAT2 (0.35) | — | |
| SCHEMBL16410816 | 0.72 | ACAT2 (0.45) | — | |
| SCHEMBL16410830 | 0.71 | ACAT2 (0.57) | — |
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 |