⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14824941 | 0.83 | — | — | |
| SCHEMBL13622740 | 0.81 | NOS3 (0.37) | — | |
| SCHEMBL30770755 | 0.81 | AR (0.34) | — | |
| SCHEMBL3439407 | 0.81 | AR (0.34) | — | |
| SCHEMBL568395 | 0.81 | AR (0.34) | — | |
| SCHEMBL2403986 | 0.81 | AR (0.34) | — | |
| SCHEMBL14824958 | 0.78 | MYC (0.30) | — | |
| SCHEMBL24677513 | 0.77 | CNR1 (0.36) | — | |
| SCHEMBL28725725 | 0.77 | CNR1 (0.36) | — | |
| SCHEMBL18921688 | 0.77 | CNR1 (0.36) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8338610-B2 | Pyridinyl compounds useful as intermediates | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-12-25 | — | — | US | disclosed |
| US-8293917-B2 | Pyrazole compounds as CCR1 antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-10-23 | — | — | 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-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-20120035370-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-09 | — | — | US | disclosed |
| US-8063065-B2 | Azaindazole compounds as CCR1 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-22 | — | — | US | disclosed |
| US-8063065-B2 | Azaindazole compounds as CCR1 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-22 | — | — | US | disclosed |
| US-20110230521-A1 | Pyrazole Compounds As CCR1 Antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-22 | — | — | US | disclosed |
| US-20110230521-A1 | Pyrazole Compounds As CCR1 Antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-22 | — | — | US | disclosed |
| US-20110086846-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-04-14 | — | — | 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-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 |