⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17716297 | 0.86 | CYP1A2 (0.32) | — | |
| SCHEMBL22875101 | 0.74 | CYP1A2 (0.30) | — | |
| SCHEMBL22259089 | 0.72 | — | — | |
| SCHEMBL14447290 | 0.69 | — | — | |
| SCHEMBL25632863 | 0.65 | — | — | |
| SCHEMBL22843152 | 0.65 | — | — | |
| SCHEMBL22234670 | 0.65 | — | — | |
| SCHEMBL26227696 | 0.64 | — | — | |
| SCHEMBL16659522 | 0.64 | — | — | |
| SCHEMBL4729117 | 0.64 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220089592-A1 | IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS | BIOGEN MA INC. | 2022-03-24 | — | — | US | disclosed |