⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13615151 | 0.85 | FASN (0.31) | — | |
| SCHEMBL13614955 | 0.79 | — | — | |
| SCHEMBL14012574 | 0.74 | — | — | |
| SCHEMBL13615597 | 0.72 | — | — | |
| SCHEMBL13863718 | 0.72 | — | — | |
| SCHEMBL13614974 | 0.71 | — | — | |
| SCHEMBL13614780 | 0.71 | — | — | |
| SCHEMBL13083661 | 0.70 | — | — | |
| SCHEMBL13263058 | 0.69 | KDM1A (0.35) | — | |
| SCHEMBL12656035 | 0.69 | — | — |
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 |