⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4239395 | 0.62 | — | — | |
| SCHEMBL366153 | 0.59 | GSK3A (0.71) | — | |
| SCHEMBL7646093 | 0.59 | — | — | |
| SCHEMBL9999112 | 0.57 | — | — | |
| SCHEMBL602159 | 0.53 | GSK3A (0.41) | — | |
| SCHEMBL232122 | 0.53 | — | — | |
| SCHEMBL1431864 | 0.53 | — | — | |
| SCHEMBL11694300 | 0.52 | — | — | |
| SCHEMBL7002117 | 0.51 | — | — | |
| SCHEMBL9276218 | 0.51 | — | — |
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-20090306310-A1 | Method of using click chemistry to functionalize dendrimers | THE SCRIPPS RESEARCH INSTITUTE (US) | 2009-12-10 | — | — | US | disclosed |
| WO-2007011967-A2 | METHOD OF USING CLICK CHEMISTRY TO FUNCTIONALIZE DENDRIMERS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2007-01-25 | — | — | WO | disclosed |