⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12999863 | 0.91 | — | — | |
| SCHEMBL8938659 | 0.90 | — | — | |
| SCHEMBL8967032 | 0.90 | — | — | |
| SCHEMBL9016005 | 0.86 | CCNT1 (0.32) | — | |
| SCHEMBL12999892 | 0.86 | NAAA (0.34) | — | |
| SCHEMBL12999848 | 0.85 | — | — | |
| SCHEMBL12999835 | 0.84 | — | — | |
| SCHEMBL12999891 | 0.84 | NAAA (0.34) | — | |
| SCHEMBL8966923 | 0.84 | — | — | |
| SCHEMBL8965301 | 0.84 | — | — |
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-2206695-A1 | TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | Chisso Corporation (JP) | 2010-07-14 | — | — | EP | disclosed |