⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30600556 | 0.99 | — | — | |
| SCHEMBL2591237 | 0.66 | MEN1 (0.31) | — | |
| SCHEMBL28667641 | 0.64 | — | — | |
| SCHEMBL30627993 | 0.59 | SLC6A2 (0.34) | — | |
| SCHEMBL32684349 | 0.59 | SLC6A2 (0.34) | — | |
| SCHEMBL30600555 | 0.59 | ALDH1A1 (0.36) | — | |
| SCHEMBL30672190 | 0.58 | KDM4E (0.31) | — | |
| SCHEMBL30600557 | 0.58 | ALDH1A1 (0.35) | — | |
| SCHEMBL17267904 | 0.58 | ALDH1A1 (0.33) | — | |
| SCHEMBL31316171 | 0.55 | RAPGEF4 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113861387-B | Ionic cycloolefin polymer, photo-self-repairing material based on ionic cycloolefin polymer, preparation method and application thereof | 天津大学 | 2023-08-01 | — | — | CN | disclosed |