⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2231114 | 0.77 | — | — | |
| SCHEMBL29474986 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL9485463 | 0.73 | — | — | |
| SCHEMBL27944846 | 0.69 | — | — | |
| SCHEMBL29474977 | 0.68 | HTT (0.31) | — | |
| SCHEMBL6663639 | 0.68 | POLB (0.32) | — | |
| SCHEMBL1069823 | 0.67 | — | — | |
| SCHEMBL1413144 | 0.67 | — | — | |
| SCHEMBL32677811 | 0.67 | — | — | |
| SCHEMBL28791721 | 0.67 | LMNA (0.37) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115768775-B | IDH mutant inhibitors and uses thereof | 微境生物医药科技(上海)有限公司 | 2024-10-25 | — | — | CN | disclosed |
| CN-115768775-A | IDH mutant inhibitor and application thereof | 微境生物医药科技(上海)有限公司 | 2023-03-07 | — | — | CN | disclosed |
| CN-109942556-A | Pyrimidinone compound and its application | 上海青煜医药科技有限公司 | 2019-06-28 | — | — | CN | disclosed |
| CN-109384729-A | For the hybar X compound of cardiac conditions | 迈奥卡迪亚公司 | 2019-02-26 | — | — | CN | disclosed |
| CN-105473576-B | Pyrimidinedione compounds for cardiac disorders | 迈奥卡迪亚公司 | 2018-10-30 | — | — | CN | disclosed |