⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1120152 | 0.71 | — | — | |
| SCHEMBL4408924 | 0.71 | — | — | |
| SCHEMBL2181878 | 0.69 | — | — | |
| SCHEMBL724702 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL10385399 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL10385397 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9524923 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6863609 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6861942 | 0.67 | — | — | |
| SCHEMBL2295797 | 0.65 | — | — |
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-115915942-A | Selective herbicides based on substituted isoxazoline carboxamides and mefenpyr-diethyl | 拜耳公司 | 2023-04-04 | — | — | CN | disclosed |
| CN-115666246-A | Selective herbicides based on substituted isoxazoline carboxamides and oxadiazons | 拜耳公司 | 2023-01-31 | — | — | CN | disclosed |