⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15948522 | 0.81 | CYP2C19 (0.36) | — | |
| Hydrochloric Acid SCHEMBL3129799 | 0.76 | MAPT (0.32) | — | |
| SCHEMBL12313350 | 0.75 | CCNB2 (0.32) | — | |
| SCHEMBL3130057 | 0.74 | PIK3CG (0.35) | — | |
| SCHEMBL11529816 | 0.70 | — | — | |
| SCHEMBL2629342 | 0.70 | — | — | |
| SCHEMBL3265214 | 0.70 | — | — | |
| SCHEMBL5544423 | 0.68 | — | — | |
| SCHEMBL3439353 | 0.68 | — | — | |
| SCHEMBL15304184 | 0.68 | — | — |
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 7 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-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-8063065-B2 | Azaindazole compounds as CCR1 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-22 | — | — | US | disclosed |
| US-20110086846-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-04-14 | — | — | US | disclosed |
| US-4143047-A | 2-SULFINYL AND 2-SULFONYL OXAZOLES | LILLY INDUSTRIES LIMITED (GB) | 1979-03-06 | — | — | US | disclosed |