⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5968043 | 0.84 | — | — | |
| SCHEMBL12700609 | 0.84 | — | — | |
| SCHEMBL15704428 | 0.81 | — | — | |
| SCHEMBL17620776 | 0.74 | — | — | |
| SCHEMBL17620778 | 0.73 | — | — | |
| SCHEMBL17620924 | 0.72 | — | — | |
| SCHEMBL17620930 | 0.72 | CYP1A2 (0.38) | — | |
| SCHEMBL12075661 | 0.72 | — | — | |
| SCHEMBL19002855 | 0.72 | — | — | |
| SCHEMBL12217397 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1816180-A1 | Mesogenic compounds, liquid crystal medium, and liquid crystal display | Merck Patent GmbH (DE) | 2007-08-08 | — | — | EP | disclosed |