⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16449382 | 0.92 | — | — | |
| SCHEMBL17584856 | 0.91 | — | — | |
| SCHEMBL15876765 | 0.90 | — | — | |
| SCHEMBL29437928 | 0.87 | — | — | |
| SCHEMBL19829105 | 0.87 | — | — | |
| SCHEMBL18165242 | 0.86 | — | — | |
| SCHEMBL19850836 | 0.85 | — | — | |
| SCHEMBL17407515 | 0.85 | — | — | |
| SCHEMBL19542838 | 0.85 | — | — | |
| SCHEMBL7851201 | 0.85 | KDM1A (0.39) | — |
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 |