⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1450298 | 0.77 | — | — | |
| SCHEMBL14840534 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL21295447 | 0.74 | — | — | |
| SCHEMBL27948012 | 0.72 | — | — | |
| SCHEMBL1178070 | 0.72 | FDPS (0.30) | — | |
| SCHEMBL11570783 | 0.72 | — | — | |
| SCHEMBL11493200 | 0.72 | — | — | |
| SCHEMBL25458865 | 0.70 | — | — | |
| Butane SCHEMBL7177175 | 0.70 | — | — | |
| Iodide SCHEMBL11518367 | 0.69 | — | — |
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-1218451-A | Liquid crystal compound, liquid crystal composition containing the same, and liquid crystal display device using the same | CHISSO CORP (JP) | 1999-06-02 | — | — | CN | disclosed |