⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14035164 | 0.91 | — | — | |
| SCHEMBL12433787 | 0.90 | — | — | |
| SCHEMBL12433700 | 0.86 | KDM1A (0.32) | — | |
| SCHEMBL12433586 | 0.81 | LMNA (0.32) | — | |
| SCHEMBL13515601 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL14035399 | 0.75 | — | — | |
| SCHEMBL17522418 | 0.74 | — | — | |
| SCHEMBL17524850 | 0.73 | KDM1A (0.34) | — | |
| SCHEMBL12433772 | 0.73 | — | — | |
| SCHEMBL2208480 | 0.73 | LMNA (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1997867-A1 | Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition | CHISSO CORPORATION (JP) | 2008-12-03 | — | — | EP | disclosed |