⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12062681 | 0.80 | — | — | |
| SCHEMBL12676102 | 0.80 | — | — | |
| SCHEMBL11497795 | 0.76 | — | — | |
| SCHEMBL789427 | 0.72 | — | — | |
| Ethylene Glycol SCHEMBL9775805 | 0.67 | TSHR (0.39) | — | |
| SCHEMBL13931969 | 0.65 | — | — | |
| Propylene Oxide SCHEMBL9874479 | 0.64 | CHRM2 (0.37) | — | |
| Propylene Oxide SCHEMBL168597 | 0.64 | — | — | |
| Propylene Oxide SCHEMBL9873297 | 0.64 | CHRM2 (0.37) | — | |
| SCHEMBL24228156 | 0.61 | — | — |
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-1061090-A1 | Reduction of oligomer and gel formation in polyolefins | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-12-20 | — | — | EP | disclosed |