⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3411858 | 0.88 | MEN1 (0.30) | — | |
| SCHEMBL3677685 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL6679040 | 0.85 | — | — | |
| Ether SCHEMBL8108462 | 0.82 | — | — | |
| SCHEMBL5079298 | 0.82 | — | — | |
| SCHEMBL16339027 | 0.80 | — | — | |
| SCHEMBL5082710 | 0.79 | — | — | |
| SCHEMBL9286135 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL453129 | 0.78 | — | — | |
| SCHEMBL17698550 | 0.78 | — | — |
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-1473323-A1 | Polyethylene composition and process for producing same | Tosoh Corporation (JP) | 2004-11-03 | — | — | EP | disclosed |