⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17757113 | 0.89 | ACAT2 (0.33) | — | |
| SCHEMBL17992070 | 0.88 | — | — | |
| SCHEMBL17757738 | 0.88 | ACAT2 (0.38) | — | |
| SCHEMBL17757094 | 0.87 | — | — | |
| SCHEMBL19523188 | 0.87 | STAT6 (0.38) | — | |
| SCHEMBL17757340 | 0.87 | CYP2A13 (0.36) | — | |
| SCHEMBL17757325 | 0.85 | PIK3CA (0.39) | — | |
| SCHEMBL17757324 | 0.84 | CYP2A13 (0.36) | — | |
| SCHEMBL17758060 | 0.84 | STAT6 (0.32) | — | |
| SCHEMBL17757337 | 0.84 | CYP2A13 (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-2016075137-A1 | SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2016-05-19 | — | — | WO | disclosed |