⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12464405 | 0.98 | — | — | |
| SCHEMBL13615224 | 0.93 | — | — | |
| SCHEMBL13615282 | 0.92 | RARB (0.31) | — | |
| SCHEMBL13614966 | 0.91 | RARB (0.32) | — | |
| SCHEMBL881048 | 0.90 | — | — | |
| SCHEMBL14884749 | 0.90 | — | — | |
| SCHEMBL881044 | 0.89 | RARB (0.31) | — | |
| SCHEMBL13614927 | 0.89 | RARB (0.31) | — | |
| SCHEMBL19961489 | 0.88 | PDE3B (0.35) | — | |
| SCHEMBL13614789 | 0.87 | FASN (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-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 |