⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7470841 | 1.00 | — | — | |
| SCHEMBL9282391 | 0.85 | CHRNA7 (0.32) | — | |
| SCHEMBL9282387 | 0.85 | CHRNA7 (0.32) | — | |
| SCHEMBL7467017 | 0.84 | — | — | |
| SCHEMBL7467024 | 0.84 | — | — | |
| SCHEMBL7476429 | 0.82 | STK17B (0.31) | — | |
| SCHEMBL7476422 | 0.82 | STK17B (0.31) | — | |
| SCHEMBL7475090 | 0.78 | MAPT (0.32) | — | |
| SCHEMBL7475097 | 0.78 | MAPT (0.32) | — | |
| SCHEMBL9241624 | 0.77 | MAPT (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0636622-B1 | Isoxazole derivatives and their use as herbicides | AVENTIS AGRICULTURE LTD (GB) | 2002-10-23 | — | — | EP | disclosed |
| EP-1160244-A1 | Isoxazole derivatives and their use as herbicides | RHONE-POULENC AGRICULTURE LIMITED (GB) | 2001-12-05 | — | — | EP | disclosed |
| US-5489570-A | PRE- OR POST-EMERGENCE | RHONE-POULENC AGRICULTURE LIMITED (GB) | 1996-02-06 | — | — | US | disclosed |
| EP-0636622-A1 | Isoxazole derivatives and their use as herbicides | RHONE POULENC AGRICULTURE LTD. (GB) | 1995-02-01 | — | — | EP | disclosed |