⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2404181 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL28633832 | 0.65 | — | — | |
| SCHEMBL28950682 | 0.65 | — | — | |
| SCHEMBL13720094 | 0.63 | — | — | |
| SCHEMBL8165939 | 0.63 | — | — | |
| SCHEMBL3207460 | 0.63 | — | — | |
| SCHEMBL28676383 | 0.62 | OR51E2 (0.39) | — | |
| SCHEMBL3278905 | 0.59 | TRIM24 (0.35) | — | |
| SCHEMBL7866038 | 0.59 | — | — | |
| SCHEMBL28520803 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115725524-B | Carbonyl reductase mutant and application thereof in reduction of cyclopentanedione compounds | 中国科学院天津工业生物技术研究所 | 2024-12-31 | — | — | CN | disclosed |