⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8433000 | 0.93 | — | — | |
| SCHEMBL22548 | 0.83 | — | — | |
| SCHEMBL82187 | 0.83 | — | — | |
| SCHEMBL27823328 | 0.83 | — | — | |
| SCHEMBL9790346 | 0.82 | — | — | |
| Ethylene SCHEMBL9421815 | 0.81 | — | — | |
| SCHEMBL28610627 | 0.81 | — | — | |
| Hydroxyl Radical SCHEMBL28871487 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL31432764 | 0.81 | — | — | |
| SCHEMBL7583255 | 0.81 | — | — |
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-114806368-A | Waterborne polyurethane coating with antifouling and self-repairing functions and preparation method thereof | 华南理工大学 | 2022-07-29 | — | — | CN | claimed |