⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16491964 | 0.72 | — | — | |
| SCHEMBL2976800 | 0.68 | — | — | |
| SCHEMBL13756716 | 0.67 | PDE4B (0.41) | — | |
| SCHEMBL2318190 | 0.67 | PDE4B (0.41) | — | |
| SCHEMBL12283766 | 0.63 | — | — | |
| SCHEMBL7103737 | 0.63 | CDA (0.33) | — | |
| SCHEMBL2107631 | 0.61 | AKR1C3 (0.40) | — | |
| SCHEMBL12564956 | 0.61 | — | — | |
| SCHEMBL11326701 | 0.57 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL26349655 | 0.57 | SMN1; SMN2 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0885227-A1 | PYRIMIDO 5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | Dr. Karl Thomae GmbH (DE) | 1998-12-23 | — | — | EP | disclosed |
| WO-1998017646-A1 | 1-(4-PIPERDINYL)-PIPERIDINYLENE AS AGGREGATION INHIBITOR | DR. KARL THOMAE GMBH (DE) | 1998-04-30 | — | — | WO | disclosed |
| WO-1997032882-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 |