⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14280670 | 0.91 | MEN1 (0.41) | — | |
| SCHEMBL14280665 | 0.87 | — | — | |
| SCHEMBL14280658 | 0.85 | ADRB2 (0.35) | — | |
| SCHEMBL14280649 | 0.85 | ADRB2 (0.35) | — | |
| SCHEMBL14280641 | 0.82 | HTT (0.37) | — | |
| SCHEMBL14280652 | 0.82 | HTT (0.37) | — | |
| SCHEMBL14280661 | 0.75 | — | — | |
| SCHEMBL14280669 | 0.75 | — | — | |
| SCHEMBL14280667 | 0.72 | PTPN2 (0.33) | — | |
| SCHEMBL14280645 | 0.72 | LPAR1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080021185-A1 | initiator systems; block polymers of vinyl acetate, vinyl alcohol, or polyvinyl butyral; use as water-soluble films, biodegradable and water-soluble polymers, detergents, in adhesives and as emulsifier; e.g. star polyethylene glycol modified with polyvinyl alcohol groups through a phenylene spacer | CELANESE VENTURES GMBH (DE) | 2008-01-24 | — | — | US | disclosed |