⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14640142 | 1.00 | — | — | |
| SCHEMBL12657234 | 0.90 | — | — | |
| SCHEMBL18468275 | 0.86 | — | — | |
| SCHEMBL14640164 | 0.86 | — | — | |
| SCHEMBL13356903 | 0.85 | — | — | |
| SCHEMBL16855371 | 0.84 | — | — | |
| SCHEMBL14473025 | 0.84 | — | — | |
| SCHEMBL24159014 | 0.82 | — | — | |
| SCHEMBL13239351 | 0.81 | — | — | |
| SCHEMBL13239361 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1565540-B1 | LIQUID CRYSTALLINE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-09-26 | — | — | EP | disclosed |
| EP-1816180-A1 | Mesogenic compounds, liquid crystal medium, and liquid crystal display | Merck Patent GmbH (DE) | 2007-08-08 | — | — | EP | disclosed |