⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30415360 | 0.70 | — | — | |
| SCHEMBL28443069 | 0.70 | — | — | |
| SCHEMBL19952862 | 0.70 | HTR2A (0.33) | — | |
| SCHEMBL30620296 | 0.68 | MEN1 (0.31) | — | |
| SCHEMBL28455852 | 0.68 | — | — | |
| SCHEMBL28589132 | 0.68 | — | — | |
| SCHEMBL22129710 | 0.65 | — | — | |
| SCHEMBL22129711 | 0.65 | — | — | |
| SCHEMBL30506425 | 0.65 | PCSK9 (0.32) | — | |
| SCHEMBL3767165 | 0.57 | MAPT (0.53) | — |
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-117986281-A | Boron-containing condensed ring aromatic compound and preparation method and application thereof | 深圳大学 | 2024-05-07 | — | — | CN | disclosed |