⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7449443 | 0.69 | — | — | |
| SCHEMBL21925054 | 0.69 | FDPS (0.34) | — | |
| SCHEMBL1243993 | 0.66 | FDPS (0.46) | — | |
| SCHEMBL6050455 | 0.64 | — | — | |
| SCHEMBL20395056 | 0.64 | METAP1 (0.30) | — | |
| SCHEMBL1547508 | 0.64 | — | — | |
| SCHEMBL9432727 | 0.63 | — | — | |
| SCHEMBL4857609 | 0.62 | — | — | |
| SCHEMBL11221540 | 0.62 | — | — | |
| SCHEMBL973001 | 0.62 | FDPS (0.33) | — |
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-2001087888-A1 | PYRAZOLOPYRIMIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE | SK CHEMICALS CO., LTD. (KR) | 2001-11-22 | — | — | WO | disclosed |