⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL27348478 | 0.86 | — | — | |
| Ether SCHEMBL6 | 0.85 | — | — | |
| Ether SCHEMBL21406 | 0.85 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL9248046 | 0.85 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL8160191 | 0.85 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL9248674 | 0.85 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL6013423 | 0.82 | — | — | |
| Ether SCHEMBL8714885 | 0.82 | — | — | |
| Ether SCHEMBL35838 | 0.82 | — | — | |
| Ether SCHEMBL11883416 | 0.80 | — | — |
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-0349146-A2 | Process for preparing ultra-high molecular weight polyethylene | NIPPON OIL CO. LTD. (JP) | 1990-01-03 | — | — | EP | disclosed |