⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8965817 | 0.99 | RARB (0.30) | — | |
| SCHEMBL8965594 | 0.98 | RARB (0.31) | — | |
| SCHEMBL8965828 | 0.97 | RARB (0.32) | — | |
| SCHEMBL8965883 | 0.97 | RARB (0.32) | — | |
| SCHEMBL8965649 | 0.97 | RARB (0.32) | — | |
| SCHEMBL8965656 | 0.97 | RARB (0.32) | — | |
| SCHEMBL8965714 | 0.97 | RARB (0.32) | — | |
| SCHEMBL8965664 | 0.97 | RARB (0.32) | — | |
| SCHEMBL8965874 | 0.97 | RARB (0.32) | — | |
| SCHEMBL8965878 | 0.97 | RARB (0.32) | — |
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 |