⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3439420 | 1.00 | — | — | |
| SCHEMBL568270 | 0.89 | — | — | |
| SCHEMBL12802515 | 0.81 | MEN1 (0.34) | — | |
| SCHEMBL21404907 | 0.81 | MEN1 (0.34) | — | |
| SCHEMBL30149083 | 0.81 | MEN1 (0.34) | — | |
| SCHEMBL23166506 | 0.81 | MEN1 (0.34) | — | |
| SCHEMBL12940495 | 0.81 | MEN1 (0.34) | — | |
| SCHEMBL21404904 | 0.81 | MEN1 (0.34) | — | |
| SCHEMBL23166505 | 0.81 | MEN1 (0.34) | — | |
| SCHEMBL29838294 | 0.81 | MEN1 (0.34) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2493875-A1 | HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-09-05 | — | — | EP | 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-8063065-B2 | Azaindazole compounds as CCR1 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-22 | — | — | US | disclosed |
| US-8008327-B2 | Indazole compounds as CCR1 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-30 | — | — | US | disclosed |
| WO-2011056440-A1 | HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-05-12 | — | — | WO | disclosed |
| US-20110086846-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-04-14 | — | — | US | disclosed |
| US-20110034512-A1 | Indazole Compounds As CCR1 Receptor Antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-02-10 | — | — | US | disclosed |
| US-7879873-B2 | Azaindazole compounds as CCR1 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-02-01 | — | — | US | disclosed |