⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13614874 | 0.83 | APP (0.35) | — | |
| SCHEMBL15268249 | 0.81 | — | — | |
| SCHEMBL10071989 | 0.78 | KDM1A (0.45) | — | |
| SCHEMBL10072199 | 0.78 | KDM1A (0.45) | — | |
| SCHEMBL12975940 | 0.78 | HCRTR2 (0.33) | — | |
| SCHEMBL10072007 | 0.78 | GRM2 (0.31) | — | |
| SCHEMBL10071806 | 0.77 | — | — | |
| SCHEMBL10072009 | 0.77 | — | — | |
| SCHEMBL10071698 | 0.77 | — | — | |
| SCHEMBL10072198 | 0.76 | — | — |
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-2116522-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY | Chisso Corporation (JP) | 2009-11-11 | — | — | EP | disclosed |