⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11034544 | 0.70 | — | — | |
| SCHEMBL28904204 | 0.67 | — | — | |
| SCHEMBL21097017 | 0.67 | — | — | |
| SCHEMBL620842 | 0.65 | — | — | |
| SCHEMBL1269317 | 0.65 | — | — | |
| SCHEMBL28611067 | 0.65 | — | — | |
| SCHEMBL28842394 | 0.65 | — | — | |
| Iodide SCHEMBL3998948 | 0.63 | — | — | |
| SCHEMBL28732406 | 0.62 | — | — | |
| Iodide SCHEMBL4690067 | 0.62 | — | — |
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-108349888-B | Novel alkynyl-substituted 3-phenylpyrrolidine-2, 4-diones and their use as herbicides | 拜耳作物科学股份公司 | 2022-03-25 | — | — | CN | disclosed |