⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20262868 | 0.48 | — | — | |
| SCHEMBL8168811 | 0.46 | — | — | |
| SCHEMBL31407230 | 0.44 | — | — | |
| SCHEMBL3465571 | 0.43 | — | — | |
| SCHEMBL23938053 | 0.43 | — | — | |
| SCHEMBL15145785 | 0.43 | — | — | |
| SCHEMBL17153 | 0.41 | — | — | |
| SCHEMBL1937267 | 0.40 | — | — | |
| SCHEMBL2319858 | 0.40 | — | — | |
| SCHEMBL19694729 | 0.40 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3807278-A1 | PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER | Astrazeneca AB (SE) | 2021-04-21 | — | — | EP | disclosed |
| WO-2019238929-A1 | PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER | ASTRAZENECA AB (SE) | 2019-12-19 | — | — | WO | disclosed |