⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12128239 | 0.69 | — | — | |
| SCHEMBL4838834 | 0.69 | — | — | |
| SCHEMBL471952 | 0.67 | — | — | |
| SCHEMBL29596295 | 0.67 | — | — | |
| SCHEMBL2867338 | 0.67 | — | — | |
| SCHEMBL2871130 | 0.67 | — | — | |
| SCHEMBL21064149 | 0.67 | — | — | |
| SCHEMBL20085537 | 0.65 | — | — | |
| SCHEMBL6323328 | 0.65 | — | — | |
| SCHEMBL20085538 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080194786-A1 | Polymers made from chemically protected dihydroxyacetone monomers e.g., 2,2-dimethoxy-1,3-propanediol and/or dimers such as 2,5-dialkoxy-2,5-bis(hydroxymethyl)-1,4-dioxane; e.g. polycarbonates, polyspiroacetals, polyesters and polyurethanes; biodegradable with minimal toxicity; biomedical, consumer use | CORNELL RESEARCH FOUNDATION, INC. (US) | 2008-08-14 | — | — | US | claimed |
| WO-2005108457-A1 | DIHYDROXYACETONE-BASED POLYMERS | CORNELL RESEARCH FOUNDATION, INC. (US) | 2005-11-17 | — | — | WO | claimed |