⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6254419 | 0.73 | — | — | |
| SCHEMBL7634643 | 0.71 | — | — | |
| SCHEMBL13349816 | 0.69 | — | — | |
| SCHEMBL2689022 | 0.68 | — | — | |
| SCHEMBL23701951 | 0.65 | — | — | |
| SCHEMBL1712412 | 0.65 | — | — | |
| SCHEMBL3426812 | 0.62 | — | — | |
| SCHEMBL3822665 | 0.61 | — | — | |
| SCHEMBL6247796 | 0.60 | — | — | |
| SCHEMBL9461723 | 0.57 | CYP3A4 (0.65) | — |
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-112480937-B | Liquid crystal compound, liquid crystal composition, liquid crystal display element, and liquid crystal display | 石家庄诚志永华显示材料有限公司 | 2024-04-02 | — | — | CN | disclosed |