⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL441202 | 0.71 | — | — | |
| SCHEMBL30146940 | 0.63 | MEN1 (0.44) | — | |
| SCHEMBL2085096 | 0.63 | — | — | |
| SCHEMBL29103274 | 0.61 | — | — | |
| Morpholine SCHEMBL10437036 | 0.60 | MEN1 (0.48) | — | |
| SCHEMBL3670577 | 0.58 | KDM4E (0.39) | — | |
| SCHEMBL28676917 | 0.57 | TTR (0.43) | — | |
| SCHEMBL1853258 | 0.56 | MEN1 (0.67) | — | |
| SCHEMBL1830024 | 0.56 | — | — | |
| SCHEMBL222120 | 0.55 | — | — |
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-117222625-A | Substituted pyridazinones, salts or N-oxides thereof and their use as herbicidal agents | 拜耳公司 | 2023-12-12 | — | — | CN | disclosed |
| CN-110799511-B | Herbicidal 3-phenylisoxazoline-5-carboxamides of tetrahydro-and dihydrofurancarboxamides | 拜耳公司 | 2023-09-01 | — | — | CN | disclosed |