⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22047124 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL25302817 | 0.72 | — | — | |
| SCHEMBL24622092 | 0.71 | — | — | |
| SCHEMBL14660311 | 0.67 | SCN8A (0.30) | — | |
| SCHEMBL14660312 | 0.67 | SCN8A (0.30) | — | |
| SCHEMBL24826125 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL14663143 | 0.65 | HTR2C (0.31) | — | |
| Hydrochloric Acid SCHEMBL14660322 | 0.65 | HTR2C (0.31) | — | |
| Hydrochloric Acid SCHEMBL14660571 | 0.65 | HTR2C (0.31) | — | |
| SCHEMBL22142394 | 0.65 | — | — |
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-115551867-B | Fused tricyclic compounds, pharmaceutical compositions and uses thereof | 劲方医药科技(上海)有限公司 | 2024-02-20 | — | — | CN | disclosed |
| CN-115551867-A | Fused tricyclic compound, pharmaceutical composition and application thereof | 劲方医药科技(上海)有限公司 | 2022-12-30 | — | — | CN | disclosed |