⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13701449 | 0.75 | TDP1 (0.33) | — | |
| SCHEMBL3659586 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL20724932 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL18685325 | 0.62 | — | — | |
| SCHEMBL184957 | 0.61 | — | — | |
| SCHEMBL276567 | 0.61 | — | — | |
| SCHEMBL35107 | 0.61 | — | — | |
| SCHEMBL18469730 | 0.60 | — | — | |
| SCHEMBL240164 | 0.60 | ALDH1A1 (0.37) | — | |
| SCHEMBL22595171 | 0.60 | RIPK1 (0.34) | — |
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-0628026-B1 | CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE | BASF AG (DE) | 1997-01-22 | — | — | EP | disclosed |