⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25210856 | 0.76 | — | — | |
| SCHEMBL27720581 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL27911973 | 0.63 | — | — | |
| SCHEMBL25436322 | 0.62 | — | — | |
| SCHEMBL28223263 | 0.62 | — | — | |
| SCHEMBL23938104 | 0.61 | LRRK2 (0.36) | — | |
| SCHEMBL25793112 | 0.61 | POLB (0.32) | — | |
| SCHEMBL585506 | 0.60 | — | — | |
| SCHEMBL31332977 | 0.60 | ALDH1A1 (0.31) | — | |
| SCHEMBL25153648 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4192836-A1 | ATR INHIBITORS AND USES THEREOF | ANTENGENE DISCOVERY LIMITED (CN) | 2023-06-14 | — | — | EP | disclosed |