⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29237016 | 1.00 | — | — | |
| SCHEMBL907769 | 0.85 | — | — | |
| SCHEMBL724151 | 0.78 | — | — | |
| SCHEMBL30547157 | 0.78 | — | — | |
| SCHEMBL29452982 | 0.76 | HTR6 (0.33) | — | |
| SCHEMBL31224061 | 0.74 | — | — | |
| SCHEMBL15956513 | 0.74 | — | — | |
| SCHEMBL31118740 | 0.74 | — | — | |
| SCHEMBL16036675 | 0.74 | — | — | |
| SCHEMBL31015135 | 0.74 | — | — |
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-120081859-A | Azacyclic derivative based on boron-nitrogen multiple resonance skeleton, preparation method and application thereof in OLED field | 深圳华中科技大学研究院 | 2025-06-03 | — | — | CN | claimed |
| CN-120081859-A | Azacyclic derivative based on boron-nitrogen multiple resonance skeleton, preparation method and application thereof in OLED field | 深圳华中科技大学研究院 | 2025-06-03 | — | — | CN | disclosed |