⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13671611 | 0.87 | — | — | |
| SCHEMBL13703588 | 0.85 | — | — | |
| SCHEMBL14393321 | 0.85 | — | — | |
| SCHEMBL13239361 | 0.85 | — | — | |
| SCHEMBL13673237 | 0.81 | — | — | |
| SCHEMBL13671607 | 0.80 | — | — | |
| SCHEMBL12657302 | 0.79 | — | — | |
| SCHEMBL15810575 | 0.78 | — | — | |
| SCHEMBL12328144 | 0.78 | — | — | |
| SCHEMBL9613651 | 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-1690917-B1 | Mesogenic compounds, liquid crystal medium and liquid crystal display | MERCK PATENT GMBH (DE) | 2008-10-08 | — | — | EP | disclosed |
| EP-1776438-B1 | LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2008-10-08 | — | — | EP | disclosed |
| EP-1690915-B1 | Mesogenic compounds, liquid crystal medium and liquid crystal display | MERCK PATENT GMBH (DE) | 2008-03-26 | — | — | EP | disclosed |