⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL57228 | 0.95 | DGKA (0.32) | — | |
| SCHEMBL25324798 | 0.94 | TSHR (0.30) | — | |
| SCHEMBL4105663 | 0.90 | DGKA (0.34) | — | |
| SCHEMBL35530 | 0.90 | DGKA (0.34) | — | |
| SCHEMBL29084299 | 0.88 | TSHR (0.33) | — | |
| SCHEMBL19667912 | 0.88 | FFAR1 (0.31) | — | |
| SCHEMBL29022969 | 0.87 | DGKA (0.32) | — | |
| SCHEMBL5072709 | 0.87 | TSHR (0.34) | — | |
| SCHEMBL29265474 | 0.86 | DGKA (0.35) | — | |
| SCHEMBL94892 | 0.86 | DGKA (0.30) | — |
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-111793085-B | Method for preparing L-glufosinate-ammonium | 利尔化学股份有限公司 | 2023-02-24 | — | — | CN | claimed |