⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL818161 | 0.97 | — | — | |
| SCHEMBL817354 | 0.92 | — | — | |
| SCHEMBL12093796 | 0.81 | — | — | |
| SCHEMBL5740023 | 0.81 | — | — | |
| SCHEMBL4891338 | 0.78 | PREP (0.35) | — | |
| SCHEMBL11344260 | 0.75 | — | — | |
| SCHEMBL12338030 | 0.74 | — | — | |
| SCHEMBL13607608 | 0.74 | — | — | |
| SCHEMBL9084404 | 0.73 | — | — | |
| SCHEMBL6846534 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7906651-B2 | Catalytic system of asymmetric reactions in aqueous media; react a silicon enolate and formaldehyde; catalyst obtained by mixing chiral ligands with scandium triflate | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2011-03-15 | — | — | US | disclosed |
| US-20080269496-A1 | Method for Producing Optically Active Hydroxymethylated Compounds | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2008-10-30 | — | — | US | disclosed |
| US-7235698-B2 | Enantioselective, catalytic allylation of ketones and olefins | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2007-06-26 | — | — | US | disclosed |