⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13625330 | 0.78 | — | — | |
| SCHEMBL12216535 | 0.75 | — | — | |
| SCHEMBL13525375 | 0.74 | — | — | |
| SCHEMBL2901955 | 0.74 | — | — | |
| SCHEMBL8924217 | 0.74 | — | — | |
| SCHEMBL752728 | 0.74 | — | — | |
| SCHEMBL7519779 | 0.74 | — | — | |
| SCHEMBL282671 | 0.74 | — | — | |
| SCHEMBL10546328 | 0.72 | NLRP3 (0.31) | — | |
| SCHEMBL8743279 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0888351-A1 | PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | Dr. Karl Thomae GmbH (DE) | 1999-01-07 | — | — | EP | claimed |
| WO-1997032880-A1 | PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | DR. KARL THOMAE GMBH (DE) | 1997-09-12 | — | — | WO | claimed |
| EP-0331636-A1 | 2-Aralkylamino-fluorane derivatives, process for their production and their use in recording materials | CIBA-GEIGY AG (CH) | 1989-09-06 | — | — | EP | claimed |
| EP-0888351-A1 | PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | Dr. Karl Thomae GmbH (DE) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997032880-A1 | PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | DR. KARL THOMAE GMBH (DE) | 1997-09-12 | — | — | WO | disclosed |
| EP-0333649-A1 | 3-Basically substituted 2-methyl fluoranes | CIBA-GEIGY AG (CH) | 1989-09-20 | — | — | EP | disclosed |