⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5136924 | 0.75 | — | — | |
| SCHEMBL14220755 | 0.73 | — | — | |
| SCHEMBL465319 | 0.73 | — | — | |
| SCHEMBL17470068 | 0.73 | — | — | |
| SCHEMBL145951 | 0.72 | — | — | |
| SCHEMBL145950 | 0.72 | — | — | |
| SCHEMBL3360849 | 0.72 | — | — | |
| SCHEMBL24972186 | 0.71 | ALDH1A1 (0.30) | — | |
| Ethylene SCHEMBL20495562 | 0.71 | GRIK1 (0.31) | — | |
| SCHEMBL11756941 | 0.71 | — | — |
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-2020185738-A1 | HETEROAROMATIC AND HETEROBICYCLIC AROMATIC DERIVATIVES FOR THE TREATMENT OF FERROPTOSIS-RELATED DISORDERS | COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) | 2020-09-17 | — | — | WO | disclosed |