⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL830961 | 0.78 | NOS3 (0.36) | — | |
| SCHEMBL2217899 | 0.75 | HRH3 (0.31) | — | |
| SCHEMBL12151347 | 0.73 | — | — | |
| SCHEMBL105987 | 0.70 | — | — | |
| SCHEMBL295181 | 0.68 | — | — | |
| SCHEMBL2216296 | 0.68 | — | — | |
| SCHEMBL4687448 | 0.68 | NOS3 (0.36) | — | |
| SCHEMBL18744665 | 0.68 | — | — | |
| SCHEMBL14642748 | 0.68 | — | — | |
| SCHEMBL8190613 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2867232-B1 | 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2018-08-08 | — | — | EP | disclosed |
| US-9434725-B2 | 5-azaindazole compounds and methods of use | F. HOFFMANN-LA ROCHE AG (CH) | 2016-09-06 | — | — | US | disclosed |
| EP-2867232-A1 | 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2015-05-06 | — | — | EP | disclosed |
| WO-2014001377-A1 | 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2014-01-03 | — | — | WO | disclosed |
| US-20140005168-A1 | 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE | GENENTECH,INC. | 2014-01-02 | — | — | US | disclosed |