⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13614974 | 0.88 | — | — | |
| SCHEMBL13614780 | 0.88 | — | — | |
| SCHEMBL12656035 | 0.86 | — | — | |
| SCHEMBL12655815 | 0.84 | — | — | |
| SCHEMBL13615032 | 0.83 | — | — | |
| SCHEMBL13615560 | 0.82 | FYN (0.30) | — | |
| SCHEMBL10073103 | 0.80 | — | — | |
| SCHEMBL13614958 | 0.79 | — | — | |
| SCHEMBL13614597 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL13615710 | 0.78 | — | — |
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 |