⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3699484 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL10711922 | 0.98 | SLC6A4 (0.33) | — | |
| SCHEMBL15698495 | 0.84 | SCN10A (0.34) | — | |
| SCHEMBL29543647 | 0.79 | — | — | |
| SCHEMBL26129789 | 0.78 | CYP17A1 (0.30) | — | |
| SCHEMBL1206570 | 0.77 | — | — | |
| SCHEMBL25078495 | 0.76 | — | — | |
| SCHEMBL542127 | 0.76 | — | — | |
| SCHEMBL1369329 | 0.76 | — | — | |
| SCHEMBL16446505 | 0.75 | IRAK4 (0.30) | — |
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 5 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-20100093724-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-15 | — | — | US | disclosed |
| WO-2010036632-A1 | AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-01 | — | — | WO | disclosed |