⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9451375 | 0.63 | — | — | |
| SCHEMBL6741073 | 0.59 | — | — | |
| Water SCHEMBL1801746 | 0.59 | — | — | |
| Ammonia Solution, Strong SCHEMBL715652 | 0.59 | — | — | |
| SCHEMBL10427357 | 0.59 | MEN1 (0.67) | — | |
| Water SCHEMBL1902537 | 0.59 | MEN1 (0.67) | — | |
| Water SCHEMBL2719908 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL9509492 | 0.59 | MEN1 (0.67) | — | |
| Ammonia Solution, Strong SCHEMBL6473773 | 0.59 | — | — | |
| Water SCHEMBL9064824 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1789401-B1 | ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES | SYNGENTA LTD (GB) | 2010-03-03 | — | — | EP | claimed |