⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12711515 | 1.00 | — | — | |
| SCHEMBL14025787 | 0.81 | — | — | |
| SCHEMBL20842564 | 0.80 | — | — | |
| SCHEMBL19883154 | 0.78 | — | — | |
| SCHEMBL21846589 | 0.78 | — | — | |
| SCHEMBL24200379 | 0.78 | — | — | |
| SCHEMBL13068961 | 0.78 | — | — | |
| SCHEMBL12711265 | 0.78 | — | — | |
| SCHEMBL14159017 | 0.78 | — | — | |
| SCHEMBL803425 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1958999-B1 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2012-07-11 | — | — | EP | disclosed |
| EP-1126006-B1 | Liquid crystal compounds, liquid crystal medium and liquid crystal display | MERCK PATENT GMBH (DE) | 2009-03-04 | — | — | EP | disclosed |
| EP-1958999-A1 | Liquid crystalline medium | MERCK PATENT GmbH (DE) | 2008-08-20 | — | — | EP | disclosed |