⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7216879 | 0.82 | — | — | |
| SCHEMBL669824 | 0.79 | — | — | |
| SCHEMBL31051602 | 0.79 | — | — | |
| SCHEMBL580627 | 0.77 | — | — | |
| SCHEMBL14420866 | 0.77 | — | — | |
| SCHEMBL23852687 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL30928945 | 0.77 | CASP3 (0.42) | — | |
| Hydrochloric Acid SCHEMBL5036129 | 0.77 | CASP3 (0.42) | — | |
| SCHEMBL3381094 | 0.77 | — | — | |
| SCHEMBL30850781 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1364946-B1 | ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT | KUMIAI CHEMICAL INDUSTRY CO (JP) | 2010-11-24 | — | — | EP | disclosed |
| EP-2186410-A1 | Isoxazoline derivative and herbicide comprising the same as active ingredient | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2010-05-19 | — | — | EP | disclosed |
| EP-2123158-A1 | HERBICIDE COMPOSITION | Kumiai Chemical Industry CO., LTD. (JP) | 2009-11-25 | — | — | EP | disclosed |