⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25913572 | 0.85 | — | — | |
| SCHEMBL1456150 | 0.77 | AAK1 (0.34) | — | |
| SCHEMBL25097719 | 0.73 | CPB2 (0.32) | — | |
| SCHEMBL25097718 | 0.73 | CPB2 (0.32) | — | |
| SCHEMBL12160052 | 0.70 | HDAC6 (0.40) | — | |
| SCHEMBL25097720 | 0.68 | HDAC1 (0.33) | — | |
| SCHEMBL27937343 | 0.68 | HDAC6 (0.34) | — | |
| SCHEMBL4659197 | 0.67 | HDAC6 (0.36) | — | |
| SCHEMBL3984281 | 0.66 | HDAC6 (0.39) | — | |
| SCHEMBL6687835 | 0.66 | HDAC6 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023125812-A1 | SUBSTITUTED PYRIMIDONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF | 上海海雁医药科技有限公司 | 2023-07-06 | — | — | WO | disclosed |