⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1784676 | 0.79 | THRB (0.33) | — | |
| SCHEMBL10878484 | 0.79 | — | — | |
| Fluoride SCHEMBL10880882 | 0.77 | THRB (0.32) | — | |
| SCHEMBL7650276 | 0.77 | — | — | |
| SCHEMBL9563352 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL22118480 | 0.69 | THRB (0.30) | — | |
| SCHEMBL13454892 | 0.67 | — | — | |
| SCHEMBL38660014 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL29448811 | 0.66 | — | — | |
| SCHEMBL743649 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0331367-B1 | Liquid crystal compounds having fluoroalkyl radical | SHOWA SHELL SEKIYU (JP) | 1993-12-08 | — | — | EP | disclosed |
| EP-0331367-A2 | Liquid crystal compounds having fluoroalkyl radical | Showa Shell Sekiyu Kabushiki Kaisha (JP) | 1989-09-06 | — | — | EP | disclosed |