⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8941867 | 0.96 | — | — | |
| SCHEMBL8942077 | 0.91 | HTR2C (0.34) | — | |
| SCHEMBL8941865 | 0.90 | — | — | |
| SCHEMBL13000738 | 0.89 | NAAA (0.34) | — | |
| SCHEMBL8951489 | 0.88 | — | — | |
| SCHEMBL8934794 | 0.86 | FFAR4 (0.32) | — | |
| SCHEMBL13000740 | 0.86 | — | — | |
| SCHEMBL8941857 | 0.84 | — | — | |
| SCHEMBL9017365 | 0.84 | GABRA1 (0.31) | — | |
| SCHEMBL8941705 | 0.84 | GABRA1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8187494-B2 | Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2012-05-29 | — | — | US | disclosed |