⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2517064 | 0.72 | — | — | |
| SCHEMBL1576840 | 0.70 | — | — | |
| SCHEMBL1576842 | 0.70 | — | — | |
| SCHEMBL1576827 | 0.68 | — | — | |
| SCHEMBL7052648 | 0.67 | — | — | |
| SCHEMBL1576832 | 0.67 | — | — | |
| SCHEMBL9394611 | 0.66 | — | — | |
| SCHEMBL31304107 | 0.65 | — | — | |
| SCHEMBL28199374 | 0.64 | PKM (0.32) | — | |
| SCHEMBL5667209 | 0.63 | — | — |
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-107920973-B | Surface modification composition | 株式会社LG生活健康 | 2021-05-07 | — | — | CN | disclosed |