⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16410709 | 0.72 | CD38 (0.34) | — | |
| SCHEMBL16410732 | 0.68 | NOS3 (0.31) | — | |
| SCHEMBL16410695 | 0.65 | — | — | |
| SCHEMBL16410671 | 0.65 | HDAC1 (0.33) | — | |
| SCHEMBL16410647 | 0.64 | CYP1A2 (0.32) | — | |
| SCHEMBL16410611 | 0.62 | — | — | |
| SCHEMBL16410838 | 0.61 | CYP3A4 (0.32) | — | |
| SCHEMBL16410683 | 0.60 | PIK3CA (0.32) | — | |
| SCHEMBL16410561 | 0.59 | TSHR (0.39) | — | |
| SCHEMBL16410774 | 0.58 | MEN1 (0.36) | — |
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 |