⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21315462 | 0.81 | — | — | |
| SCHEMBL6217575 | 0.79 | MCL1 (0.74) | — | |
| SCHEMBL5154225 | 0.77 | — | — | |
| SCHEMBL20068039 | 0.76 | MCL1 (0.56) | — | |
| SCHEMBL5154488 | 0.76 | — | — | |
| SCHEMBL1417434 | 0.75 | — | — | |
| SCHEMBL7620131 | 0.75 | MCL1 (0.68) | — | |
| SCHEMBL215502 | 0.75 | — | — | |
| SCHEMBL3911970 | 0.75 | MCL1 (0.68) | — | |
| Cyacetacide SCHEMBL678715 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011157748-A1 | 5-ARYL ISOXAZOLINES FOR CONTROLLING PESTS | NOVARTIS AG (CH) | 2011-12-22 | — | — | WO | disclosed |