⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14637076 | 0.97 | — | — | |
| SCHEMBL14636476 | 0.85 | — | — | |
| SCHEMBL14635675 | 0.82 | — | — | |
| SCHEMBL2324383 | 0.81 | — | — | |
| SCHEMBL14636293 | 0.80 | — | — | |
| SCHEMBL14637428 | 0.78 | — | — | |
| SCHEMBL2324491 | 0.77 | — | — | |
| SCHEMBL14636467 | 0.76 | — | — | |
| SCHEMBL14636765 | 0.72 | — | — | |
| SCHEMBL2326455 | 0.66 | HSD11B1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140155406-A1 | 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES BTK INHIBITORS | MERCK SHARP & DOHME B.V. (NL) | 2014-06-05 | — | — | US | disclosed |
| EP-2734523-A1 | 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES BTK-INHIBITORS | Merck Sharp & Dohme B.V. (NL) | 2014-05-28 | — | — | EP | disclosed |
| WO-2013010869-A1 | 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES BTK-INHIBITORS | MSD OSS B.V. (NL) | 2013-01-24 | — | — | WO | disclosed |