⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2926578 | 0.62 | — | — | |
| SCHEMBL29965655 | 0.57 | CDC25B (0.39) | — | |
| SCHEMBL1180 | 0.57 | CDC25B (0.39) | — | |
| SCHEMBL23235636 | 0.56 | CDC25B (0.72) | — | |
| SCHEMBL7737681 | 0.54 | CDC25B (0.41) | — | |
| Methyl Alcohol SCHEMBL18284553 | 0.53 | CDC25B (0.36) | — | |
| SCHEMBL4020923 | 0.53 | CDC25B (0.36) | — | |
| SCHEMBL30276371 | 0.52 | CDC25B (0.31) | — | |
| SCHEMBL4588164 | 0.52 | CDC25B (0.31) | — | |
| SCHEMBL30956636 | 0.52 | CDC25B (0.65) | — |
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-0289992-B1 | Process for preparing purine derivates | KEMIJSKI INST (SI) | 1994-04-27 | — | — | EP | disclosed |