⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23394138 | 0.75 | — | — | |
| SCHEMBL19010150 | 0.71 | NOS3 (0.30) | — | |
| SCHEMBL11279483 | 0.66 | SLC6A2 (0.32) | — | |
| SCHEMBL24297579 | 0.64 | — | — | |
| SCHEMBL12320446 | 0.63 | — | — | |
| SCHEMBL8230322 | 0.63 | — | — | |
| SCHEMBL19570392 | 0.63 | — | — | |
| SCHEMBL16255774 | 0.60 | — | — | |
| SCHEMBL2041026 | 0.60 | — | — | |
| SCHEMBL19526544 | 0.60 | — | — |
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-2069338-B1 | INSECTICIDAL ISOXAZOLINES | BAYER CROPSCIENCE AG (DE) | 2012-11-28 | — | — | EP | disclosed |