⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27699978 | 0.76 | — | — | |
| SCHEMBL21055955 | 0.72 | — | — | |
| SCHEMBL26854524 | 0.71 | — | — | |
| SCHEMBL26857079 | 0.68 | CACNA1H (0.39) | — | |
| SCHEMBL27383369 | 0.68 | — | — | |
| SCHEMBL27925554 | 0.68 | — | — | |
| SCHEMBL27809350 | 0.67 | — | — | |
| SCHEMBL27842916 | 0.66 | — | — | |
| SCHEMBL27535964 | 0.66 | P2RX7 (0.34) | — | |
| SCHEMBL21201253 | 0.65 | L3MBTL1 (0.42) | — |
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-101052628-B | Isoxazoline derivatives and herbicidal use thereof | SYNGENTA LTD | 2011-07-27 | — | — | CN | disclosed |
| CN-101052628-A | Isoxazolines derivatives and its weedicide application | ZENECA LTD (GB) | 2007-10-10 | — | — | CN | disclosed |