⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1017201 | 1.00 | — | — | |
| SCHEMBL1017968 | 0.92 | — | — | |
| SCHEMBL5855824 | 0.90 | TRPA1 (0.35) | — | |
| SCHEMBL5854359 | 0.90 | TRPA1 (0.35) | — | |
| SCHEMBL1016762 | 0.90 | TRPA1 (0.35) | — | |
| SCHEMBL5855821 | 0.90 | TRPA1 (0.35) | — | |
| SCHEMBL5854361 | 0.90 | TRPA1 (0.35) | — | |
| SCHEMBL8306163 | 0.82 | — | — | |
| SCHEMBL1017912 | 0.82 | — | — | |
| SCHEMBL13550385 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2098583-B1 | Optically isotropic liquid crystal medium and optical device | JNC CORP (JP) | 2012-03-21 | — | — | EP | disclosed |
| EP-2028253-B1 | Optically isotropic liquid crystal medium and optical device | JNC CORP (JP) | 2011-08-03 | — | — | EP | disclosed |
| EP-2028253-A1 | Optically isotropic liquid crystal medium and optical device | Chisso Corporation (JP) | 2009-02-25 | — | — | EP | disclosed |