⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL550230 | 0.81 | — | — | |
| SCHEMBL15665667 | 0.76 | — | — | |
| SCHEMBL14802029 | 0.74 | KCNH2 (0.30) | — | |
| SCHEMBL13738490 | 0.73 | — | — | |
| SCHEMBL29163070 | 0.71 | — | — | |
| SCHEMBL8797729 | 0.69 | — | — | |
| SCHEMBL10983147 | 0.67 | — | — | |
| SCHEMBL551587 | 0.65 | — | — | |
| SCHEMBL6762200 | 0.64 | — | — | |
| SCHEMBL302063 | 0.61 | TSHR (0.52) | — |
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-117043140-A | Substituted pyrrolidin-2-ones, salts thereof and their use as herbicidal active substances | 拜耳公司 | 2023-11-10 | — | — | CN | disclosed |
| CN-116867372-A | [ (5-phenyl-1-heteroaryl-1H-pyrazol-3-yl) oxy ] acetic acid derivatives as safeners for protecting useful plants and crop plants | 拜耳公司 | 2023-10-10 | — | — | CN | disclosed |
| CN-110799511-B | Herbicidal 3-phenylisoxazoline-5-carboxamides of tetrahydro-and dihydrofurancarboxamides | 拜耳公司 | 2023-09-01 | — | — | CN | disclosed |