⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29548544 | 0.79 | — | — | |
| SCHEMBL29548516 | 0.78 | — | — | |
| SCHEMBL29548522 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL31487947 | 0.68 | MAPT (0.46) | — | |
| SCHEMBL29548251 | 0.68 | JAK2 (0.36) | — | |
| SCHEMBL29548356 | 0.66 | PIK3CA (0.32) | — | |
| SCHEMBL31425993 | 0.63 | CRBN (0.45) | — | |
| SCHEMBL29548138 | 0.61 | CAMKK1 (0.34) | — | |
| SCHEMBL24338888 | 0.60 | CSNK2A1 (0.34) | — | |
| SCHEMBL29241277 | 0.59 | CAMKK1 (0.43) | — |
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-2022070288-A1 | NITROGEN-CONTAINING BICYCLIC COMPOUND | 旭化成ファーマ株式会社 | 2022-04-07 | — | — | WO | disclosed |