⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL567866 | 0.84 | — | — | |
| SCHEMBL3126792 | 0.79 | MAP4K4 (0.33) | — | |
| SCHEMBL3251375 | 0.76 | HTT (0.34) | — | |
| SCHEMBL3129804 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL3465314 | 0.74 | NUDT1 (0.32) | — | |
| SCHEMBL3465466 | 0.74 | LMNA (0.45) | — | |
| SCHEMBL3465208 | 0.74 | NNMT (0.36) | — | |
| SCHEMBL568732 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL3126398 | 0.68 | PIK3C3 (0.34) | — | |
| SCHEMBL3466368 | 0.63 | PIK3CD (0.37) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2346868-B1 | AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2016-01-27 | — | — | EP | disclosed |
| US-8338610-B2 | Pyridinyl compounds useful as intermediates | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-12-25 | — | — | US | disclosed |
| US-20120136158-A1 | Pyridinyl Compounds Useful As Intermediates | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-05-31 | — | — | US | disclosed |
| US-8163918-B2 | Azaindazole compounds as CCR1 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-24 | — | — | US | disclosed |
| US-20120035370-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-09 | — | — | US | disclosed |
| US-20110086846-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-04-14 | — | — | US | disclosed |
| US-7879873-B2 | Azaindazole compounds as CCR1 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-02-01 | — | — | US | disclosed |
| US-20100093724-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-15 | — | — | US | disclosed |