⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18370229 | 0.84 | — | — | |
| SCHEMBL27649788 | 0.82 | — | — | |
| SCHEMBL12301449 | 0.76 | TP53 (0.36) | — | |
| SCHEMBL21362901 | 0.70 | TBXAS1 (0.32) | — | |
| SCHEMBL14234175 | 0.69 | GRM4 (0.36) | — | |
| SCHEMBL22291156 | 0.64 | PDE10A (0.36) | — | |
| SCHEMBL24167222 | 0.63 | MLLT1 (0.33) | — | |
| SCHEMBL15998377 | 0.63 | KEAP1 (0.33) | — | |
| SCHEMBL21274238 | 0.62 | — | — | |
| SCHEMBL22185880 | 0.61 | MAP4K4 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010047372-A1 | 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY | 塩野義製薬株式会社 (JP) | 2010-04-29 | — | — | WO | disclosed |