⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3464041 | 0.82 | FBP1 (0.31) | — | |
| SCHEMBL568550 | 0.80 | — | — | |
| SCHEMBL3466896 | 0.79 | POLB (0.34) | — | |
| SCHEMBL3129635 | 0.62 | NR4A2 (0.38) | — | |
| SCHEMBL3465420 | 0.60 | BRD4 (0.34) | — | |
| SCHEMBL19502840 | 0.58 | ACHE (0.33) | — | |
| SCHEMBL567922 | 0.57 | — | — | |
| SCHEMBL1814008 | 0.57 | — | — | |
| SCHEMBL8178745 | 0.56 | NQO1 (0.37) | — | |
| SCHEMBL7098457 | 0.56 | NQO1 (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 4 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 |