⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2170743 | 0.84 | TYR (0.48) | — | |
| SCHEMBL26894497 | 0.77 | — | — | |
| SCHEMBL8302977 | 0.77 | — | — | |
| SCHEMBL217026 | 0.76 | — | — | |
| SCHEMBL18398869 | 0.75 | — | — | |
| SCHEMBL2612388 | 0.75 | KMT2A (0.49) | — | |
| SCHEMBL11991767 | 0.73 | MAPT (0.47) | — | |
| SCHEMBL10464271 | 0.72 | KMT2A (0.46) | — | |
| SCHEMBL12894436 | 0.72 | CCR4 (0.46) | — | |
| SCHEMBL2608444 | 0.72 | CCR4 (0.53) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2346868-A1 | AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010036632-A1 | AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-01 | — | — | WO | disclosed |