⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8681241 | 0.65 | — | — | |
| SCHEMBL8816500 | 0.62 | — | — | |
| SCHEMBL8216273 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL16540232 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL6820706 | 0.59 | — | — | |
| SCHEMBL9242234 | 0.58 | — | — | |
| SCHEMBL402790 | 0.57 | — | — | |
| SCHEMBL19279758 | 0.57 | — | — | |
| SCHEMBL4694013 | 0.57 | — | — | |
| SCHEMBL27263129 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119638681-A | Triazine diketone derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2025-03-18 | — | — | CN | disclosed |
| CN-116323598-B | Triazine diketone derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2024-11-15 | — | — | CN | disclosed |
| US-20240010639-A1 | TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE | JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) | 2024-01-11 | — | — | US | disclosed |