⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16476956 | 0.65 | — | — | |
| SCHEMBL9965032 | 0.65 | NUAK1 (0.31) | — | |
| SCHEMBL15114817 | 0.54 | — | — | |
| SCHEMBL23133031 | 0.54 | — | — | |
| SCHEMBL19010107 | 0.53 | MB (0.31) | — | |
| SCHEMBL14708723 | 0.53 | GABRA1 (0.52) | — | |
| SCHEMBL16979049 | 0.53 | TSHR (0.36) | — | |
| SCHEMBL15912321 | 0.53 | CYP1A2 (0.30) | — | |
| SCHEMBL8624290 | 0.53 | GSK3B (0.30) | — | |
| SCHEMBL16350576 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3181133-A1 | NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS | Pfizer Inc (US) | 2017-06-21 | — | — | EP | disclosed |