⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12656124 | 0.94 | CYP11B1 (0.30) | — | |
| SCHEMBL13614598 | 0.90 | — | — | |
| SCHEMBL12656125 | 0.88 | — | — | |
| SCHEMBL13615255 | 0.88 | HTR2A (0.31) | — | |
| SCHEMBL12655857 | 0.87 | — | — | |
| SCHEMBL12655833 | 0.86 | — | — | |
| SCHEMBL12656126 | 0.81 | CYP11B1 (0.31) | — | |
| SCHEMBL12917869 | 0.81 | CYP3A4 (0.32) | — | |
| SCHEMBL13000161 | 0.81 | — | — | |
| SCHEMBL8948575 | 0.81 | — | — |
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 |