⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13385050 | 0.93 | — | — | |
| SCHEMBL13384943 | 0.88 | — | — | |
| SCHEMBL13385168 | 0.84 | — | — | |
| SCHEMBL13384950 | 0.82 | — | — | |
| SCHEMBL13384999 | 0.82 | — | — | |
| SCHEMBL9019732 | 0.80 | — | — | |
| SCHEMBL13385165 | 0.80 | — | — | |
| SCHEMBL13384901 | 0.80 | — | — | |
| SCHEMBL13384925 | 0.79 | — | — | |
| SCHEMBL13384926 | 0.79 | — | — |
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-7695777-B2 | cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times | CHISSON CORPORATION (JP) | 2010-04-13 | — | — | US | disclosed |