⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29004668 | 0.85 | — | — | |
| SCHEMBL29437928 | 0.84 | — | — | |
| SCHEMBL30332189 | 0.83 | — | — | |
| SCHEMBL30332052 | 0.81 | — | — | |
| SCHEMBL12624427 | 0.80 | SCN9A (0.30) | — | |
| SCHEMBL12624351 | 0.79 | GRM2 (0.31) | — | |
| SCHEMBL15396097 | 0.78 | GRM2 (0.34) | — | |
| SCHEMBL12624347 | 0.77 | GRM2 (0.35) | — | |
| SCHEMBL22341767 | 0.77 | KDM1A (0.33) | — | |
| SCHEMBL14888021 | 0.77 | GRM2 (0.34) | — |
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-115960074-A | Fluorine-containing ferroelectric liquid crystal molecules containing heteroatom hexatomic alicyclic ring and synthesis method thereof | 华南理工大学 | 2023-04-14 | — | — | CN | disclosed |