⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6371971 | 0.92 | — | — | |
| SCHEMBL8700430 | 0.90 | — | — | |
| SCHEMBL28418396 | 0.90 | GBA1 (0.34) | — | |
| SCHEMBL8429881 | 0.87 | GBA1 (0.37) | — | |
| SCHEMBL6612099 | 0.87 | GBA1 (0.37) | — | |
| SCHEMBL9037014 | 0.84 | — | — | |
| SCHEMBL7610518 | 0.82 | — | — | |
| SCHEMBL8427828 | 0.80 | GBA1 (0.36) | — | |
| SCHEMBL8427539 | 0.79 | GBA1 (0.35) | — | |
| SCHEMBL27879167 | 0.79 | GBA1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111302926-B | Beta-diketone cerium (IV) compound and preparation and application thereof | 湖北固润科技股份有限公司 | 2024-04-02 | — | — | CN | disclosed |
| WO-1998007720-A1 | SUBSTITUTED 2-ARYLPYRIDINE AS HERBICIDE | BASF AKTIENGESELLSCHAFT (DE) | 1998-02-26 | — | — | WO | disclosed |