⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7863552 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL7868787 | 0.79 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL7744894 | 0.79 | MAOA (0.32) | — | |
| SCHEMBL7744876 | 0.79 | MAPT (0.35) | — | |
| SCHEMBL8440483 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL8443188 | 0.76 | PTGER4 (0.33) | — | |
| SCHEMBL7742072 | 0.75 | ATM (0.37) | — | |
| SCHEMBL8723874 | 0.75 | KDM4E (0.32) | — | |
| SCHEMBL7498439 | 0.75 | HIF1A (0.38) | — | |
| SCHEMBL7500162 | 0.74 | HIF1A (0.36) | — |
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-1998028262-A1 | O-BENZYL OXIME ETHER DERIVATIVES AS PECTICIDES | NOVARTIS AG (CH) | 1998-07-02 | — | — | WO | disclosed |