⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3625362 | 1.00 | — | — | |
| SCHEMBL7704624 | 0.92 | GLI1 (0.33) | — | |
| Hydroxyamine SCHEMBL6694548 | 0.80 | CAD (0.43) | — | |
| SCHEMBL6603156 | 0.79 | — | — | |
| SCHEMBL16388867 | 0.79 | — | — | |
| SCHEMBL6602740 | 0.79 | — | — | |
| SCHEMBL873651 | 0.79 | — | — | |
| SCHEMBL9392772 | 0.77 | — | — | |
| SCHEMBL25042354 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL28100978 | 0.77 | CAD (0.44) | — |
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-2023016447-A1 | FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF | Sironax Ltd. (KY) | 2023-02-16 | — | — | WO | disclosed |