⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27536843 | 0.79 | — | — | |
| SCHEMBL27636365 | 0.79 | — | — | |
| SCHEMBL22581581 | 0.79 | — | — | |
| SCHEMBL27927020 | 0.79 | — | — | |
| SCHEMBL28013163 | 0.76 | — | — | |
| SCHEMBL28776553 | 0.75 | — | — | |
| SCHEMBL27380920 | 0.75 | — | — | |
| SCHEMBL27621360 | 0.75 | — | — | |
| SCHEMBL27410405 | 0.74 | — | — | |
| SCHEMBL8194929 | 0.74 | KDM4E (0.38) | — |
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-112174891-B | Preparation method of penflufen metabolite | 浙江省农业科学院 | 2022-02-01 | — | — | CN | disclosed |
| CN-112174891-A | Preparation method of penflufen metabolite | 浙江省农业科学院 | 2021-01-05 | — | — | CN | disclosed |