⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4286330 | 0.84 | CNR2 (0.31) | — | |
| SCHEMBL4290676 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL4433372 | 0.79 | — | — | |
| SCHEMBL4436678 | 0.73 | — | — | |
| SCHEMBL4289345 | 0.73 | — | — | |
| SCHEMBL4435175 | 0.72 | — | — | |
| SCHEMBL3380689 | 0.72 | MPO (0.43) | — | |
| SCHEMBL4282519 | 0.72 | KDM5B (0.30) | — | |
| SCHEMBL2834844 | 0.72 | HPGD (0.36) | — | |
| SCHEMBL3741118 | 0.71 | CYP2C9 (0.33) | — |
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-2009158258-A1 | HERBICIDAL DIHYDRO OXO SIX-MEMBERED AZINYL ISOXAZOLINES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-12-30 | — | — | WO | disclosed |