⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2041393 | 0.73 | — | — | |
| SCHEMBL29189363 | 0.71 | — | — | |
| SCHEMBL29189467 | 0.71 | — | — | |
| SCHEMBL29189353 | 0.71 | — | — | |
| SCHEMBL29189385 | 0.71 | — | — | |
| SCHEMBL1086369 | 0.67 | — | — | |
| SCHEMBL1585098 | 0.62 | AR (0.52) | — | |
| SCHEMBL15063938 | 0.62 | TSHR (0.39) | — | |
| SCHEMBL10441530 | 0.62 | — | — | |
| SCHEMBL131541 | 0.60 | — | — |
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-117881662-A | Herbicide malonamide containing monocyclic heteroaromatic ring | 巴斯夫欧洲公司 | 2024-04-12 | — | — | CN | disclosed |