⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28868083 | 0.99 | — | — | |
| SCHEMBL29069281 | 0.98 | — | — | |
| SCHEMBL29069289 | 0.90 | — | — | |
| SCHEMBL29069287 | 0.90 | — | — | |
| SCHEMBL28956987 | 0.89 | — | — | |
| SCHEMBL9679835 | 0.85 | — | — | |
| SCHEMBL29069231 | 0.84 | — | — | |
| SCHEMBL28868095 | 0.83 | — | — | |
| SCHEMBL28868102 | 0.83 | — | — | |
| SCHEMBL15919248 | 0.83 | CCNB2 (0.31) | — |
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-116715800-A | Blue light resistant contact lens and preparation method thereof | 江苏海伦隐形眼镜有限公司 | 2023-09-08 | — | — | CN | disclosed |