⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12028769 | 0.83 | FOLH1 (0.32) | — | |
| SCHEMBL6277782 | 0.78 | — | — | |
| SCHEMBL6172552 | 0.78 | — | — | |
| SCHEMBL1766715 | 0.76 | — | — | |
| SCHEMBL1766713 | 0.76 | — | — | |
| SCHEMBL1766343 | 0.74 | — | — | |
| SCHEMBL1766341 | 0.74 | — | — | |
| SCHEMBL347467 | 0.72 | — | — | |
| Ethane SCHEMBL9712854 | 0.72 | — | — | |
| SCHEMBL12518734 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090325952-A1 | PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS | GLAXO GROUP LIMITED | 2009-12-31 | — | — | US | disclosed |
| US-7189720-B2 | Selective NPY (Y5) antagonists | H. LUNDBECK A/S (DK) | 2007-03-13 | — | — | US | disclosed |