⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2843355 | 0.63 | BACE1 (0.31) | — | |
| SCHEMBL18284840 | 0.61 | — | — | |
| SCHEMBL12076408 | 0.60 | — | — | |
| SCHEMBL3341172 | 0.59 | — | — | |
| SCHEMBL17580403 | 0.57 | BACE1 (0.30) | — | |
| SCHEMBL89917 | 0.56 | — | — | |
| SCHEMBL31740598 | 0.56 | — | — | |
| SCHEMBL9535287 | 0.55 | — | — | |
| SCHEMBL14895443 | 0.55 | — | — | |
| SCHEMBL17652239 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113631535-B | Heteroaryl and bisheteroaryl derivatives for the treatment of iron death-related disorders | 协同医药发展有限公司 | 2024-04-12 | — | — | CN | disclosed |