⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18484221 | 0.81 | — | — | |
| SCHEMBL24498432 | 0.80 | — | — | |
| SCHEMBL24716554 | 0.75 | — | — | |
| SCHEMBL13605185 | 0.75 | — | — | |
| SCHEMBL2667390 | 0.72 | — | — | |
| SCHEMBL17623027 | 0.72 | — | — | |
| SCHEMBL12069168 | 0.70 | — | — | |
| SCHEMBL22292032 | 0.70 | — | — | |
| SCHEMBL18400250 | 0.70 | — | — | |
| SCHEMBL22146591 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023019912-A9 | BENZOTRIAZINE DIOXIDE AND PHARMACEUTICAL COMPOSITION THEREOF | 杭州瑞臻医药有限公司 | 2023-06-01 | — | — | WO | disclosed |
| WO-2023019912-A1 | BENZOTRIAZINE DIOXIDE AND PHARMACEUTICAL COMPOSITION THEREOF | 杭州瑞臻医药有限公司 | 2023-02-23 | — | — | WO | disclosed |