⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14574917 | 0.99 | — | — | |
| SCHEMBL29784948 | 0.99 | — | — | |
| SCHEMBL28429466 | 0.80 | — | — | |
| SCHEMBL29446250 | 0.76 | — | — | |
| SCHEMBL2591237 | 0.75 | MEN1 (0.31) | — | |
| SCHEMBL4903074 | 0.67 | — | — | |
| SCHEMBL28667641 | 0.66 | — | — | |
| SCHEMBL30693642 | 0.64 | SLC6A2 (0.37) | — | |
| SCHEMBL30095352 | 0.63 | — | — | |
| SCHEMBL14784045 | 0.62 | SLC6A2 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022238774-A1 | MONOMER, POLYMERIZABLE COMPOSITION, AND POLYMERS DERIVED THEREFROM | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2022-11-17 | — | — | WO | disclosed |