⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5772044 | 0.64 | — | — | |
| SCHEMBL21351629 | 0.49 | NOS3 (0.30) | — | |
| SCHEMBL22072784 | 0.48 | NOS3 (0.30) | — | |
| SCHEMBL6014437 | 0.43 | — | — | |
| SCHEMBL3117258 | 0.41 | — | — | |
| Acetonitrile SCHEMBL28595133 | 0.40 | MAPT (0.61) | — | |
| SCHEMBL12328032 | 0.39 | — | — | |
| SCHEMBL4645948 | 0.39 | — | — | |
| SCHEMBL7523848 | 0.37 | — | — | |
| SCHEMBL31103 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2155203-A1 | AZAINDAZOLE COMPOUNDS AND METHODS OF USE | ChemoCentryx Inc (US) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008147822-A1 | AZAINDAZOLE COMPOUNDS AND METHODS OF USE | CHEMOCENTRYX, INC. (US) | 2008-12-04 | — | — | WO | disclosed |