⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL449233 | 0.70 | — | — | |
| SCHEMBL6359336 | 0.65 | — | — | |
| SCHEMBL18824423 | 0.58 | — | — | |
| SCHEMBL2222566 | 0.47 | — | — | |
| SCHEMBL2696493 | 0.42 | — | — | |
| SCHEMBL724366 | 0.42 | — | — | |
| SCHEMBL9135975 | 0.42 | — | — | |
| SCHEMBL27383258 | 0.42 | — | — | |
| SCHEMBL2699492 | 0.42 | — | — | |
| SCHEMBL8911431 | 0.42 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7875327-B2 | nematic phase consisting of a lactone ring of pyranone, a cyclohexylene or 1,4-phenylene ring, or replaced by one or more fluorine; controlling temperature, optical and dielectric anisotropy, photostability, heat resistance | CHISSO CORPORATION (JP) | 2011-01-25 | — | — | US | disclosed |
| US-20100038588-A1 | Liquid Crystal Compound Having Lactone Ring, Liquid Crystal Composition, And Liquid Crystal Display Device | CHISSO CORPORATION (JP) | 2010-02-18 | — | — | US | disclosed |