⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12917699 | 0.98 | — | — | |
| SCHEMBL12917717 | 0.87 | — | — | |
| SCHEMBL13604981 | 0.86 | ESR2 (0.37) | — | |
| SCHEMBL12917898 | 0.79 | — | — | |
| SCHEMBL12333394 | 0.78 | — | — | |
| SCHEMBL9912663 | 0.78 | — | — | |
| SCHEMBL10020960 | 0.77 | — | — | |
| SCHEMBL12917913 | 0.77 | ESR2 (0.41) | — | |
| SCHEMBL12918391 | 0.76 | — | — | |
| SCHEMBL12918304 | 0.75 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009150963-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | チッソ株式会社 (JP) | 2009-12-17 | — | — | WO | disclosed |
| EP-1801186-A1 | Liquid crystal composition and liquid crystal display device | CHISSO CORPORATION (JP) | 2007-06-27 | — | — | EP | disclosed |