⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12076420 | 0.74 | — | — | |
| SCHEMBL910890 | 0.74 | — | — | |
| SCHEMBL29737981 | 0.74 | — | — | |
| SCHEMBL30052267 | 0.74 | — | — | |
| SCHEMBL411439 | 0.74 | — | — | |
| SCHEMBL22824181 | 0.74 | — | — | |
| SCHEMBL20969967 | 0.72 | KEAP1 (0.34) | — | |
| SCHEMBL16822493 | 0.71 | CCR1 (0.48) | — | |
| SCHEMBL22978713 | 0.70 | — | — | |
| SCHEMBL16249701 | 0.70 | — | — |
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-3784669-A1 | PTERIDINONE COMPOUNDS AND USES THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2021-03-03 | — | — | EP | disclosed |