⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2361276 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL487706 | 0.81 | — | — | |
| SCHEMBL20489380 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL5703764 | 0.76 | — | — | |
| SCHEMBL27778121 | 0.73 | — | — | |
| SCHEMBL1076201 | 0.73 | — | — | |
| SCHEMBL30456023 | 0.71 | — | — | |
| SCHEMBL4075319 | 0.71 | — | — | |
| SCHEMBL175176 | 0.71 | — | — | |
| SCHEMBL15809492 | 0.70 | — | — |
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-112543776-B | Polymerizable composition and optical material prepared from same | SKC株式会社 | 2023-04-04 | — | — | CN | disclosed |