⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1234051 | 0.83 | CYP11B2 (0.31) | — | |
| SCHEMBL1234824 | 0.75 | NLRP3 (0.31) | — | |
| SCHEMBL1232387 | 0.73 | CYP11B2 (0.33) | — | |
| SCHEMBL1234606 | 0.73 | RET (0.32) | — | |
| SCHEMBL1233548 | 0.72 | CNR1 (0.35) | — | |
| SCHEMBL1234578 | 0.70 | CNR1 (0.41) | — | |
| SCHEMBL5407208 | 0.68 | KDM4E (0.34) | — | |
| SCHEMBL12724798 | 0.67 | CNR1 (0.32) | — | |
| SCHEMBL1234919 | 0.67 | CNR1 (0.38) | — | |
| SCHEMBL1232376 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1863809-A2 | PYRAZOLOPYRIDINES AND ANALOGS THEREOF | Coley Pharmaceutical Group, Inc. (US) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006107753-A2 | PYRAZOLOPYRIDINES AND ANALOGS THEREOF | COLEY PHARMACEUTICAL GROUP, INC. (US) | 2006-10-12 | — | — | WO | disclosed |