⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14280615 | 0.98 | CA2 (0.31) | — | |
| SCHEMBL12665239 | 0.73 | CA2 (0.32) | — | |
| SCHEMBL12708525 | 0.71 | RECQL (0.33) | — | |
| SCHEMBL14280609 | 0.71 | PTPN2 (0.39) | — | |
| SCHEMBL16996819 | 0.71 | — | — | |
| SCHEMBL15132094 | 0.70 | RECQL (0.32) | — | |
| SCHEMBL8889697 | 0.68 | — | — | |
| SCHEMBL3147889 | 0.67 | SLC22A12 (0.34) | — | |
| SCHEMBL23647292 | 0.66 | CA2 (0.44) | — | |
| SCHEMBL10835191 | 0.66 | CA2 (0.44) | — |
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 |