⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28633832 | 0.79 | — | — | |
| SCHEMBL13720094 | 0.74 | — | — | |
| SCHEMBL31337845 | 0.65 | — | — | |
| SCHEMBL3639125 | 0.62 | — | — | |
| SCHEMBL14064987 | 0.62 | — | — | |
| SCHEMBL24070426 | 0.60 | — | — | |
| SCHEMBL5667545 | 0.58 | — | — | |
| SCHEMBL2404181 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL28520803 | 0.57 | — | — | |
| SCHEMBL3207460 | 0.56 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115725524-A | Carbonyl reductase mutant and application thereof in reduction of cyclopentadione compounds | 中国科学院天津工业生物技术研究所 | 2023-03-03 | — | — | CN | disclosed |
| CN-110551701-B | Carbonyl reductase mutant and application thereof in reduction of cyclopentadione compounds | 中国科学院天津工业生物技术研究所 | 2022-08-05 | — | — | CN | disclosed |
| CN-110551701-A | carbonyl reductase mutant and application thereof in reduction of cyclopentadione compounds | TIANJIN INST IND BIOTECHNOLOGY CAS | 2019-12-10 | — | — | CN | disclosed |