⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4798822 | 0.80 | KDM4E (0.35) | — | |
| SCHEMBL6834334 | 0.80 | KDM4E (0.35) | — | |
| SCHEMBL31415084 | 0.68 | ALOX5 (0.46) | — | |
| SCHEMBL28717271 | 0.68 | MEN1 (0.40) | — | |
| SCHEMBL751068 | 0.57 | — | — | |
| SCHEMBL1274599 | 0.57 | — | — | |
| SCHEMBL18533018 | 0.53 | — | — | |
| SCHEMBL16057104 | 0.53 | — | — | |
| SCHEMBL8663021 | 0.49 | XIAP (0.37) | — | |
| SCHEMBL57203 | 0.49 | MEN1 (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119638986-A | Organic positive electrode material of ion battery and preparation method thereof | 燕山大学 | 2025-03-18 | — | — | CN | claimed |
| CN-119638986-A | Organic positive electrode material of ion battery and preparation method thereof | 燕山大学 | 2025-03-18 | — | — | CN | disclosed |