⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13548359 | 0.95 | — | — | |
| SCHEMBL16803180 | 0.79 | — | — | |
| SCHEMBL16855487 | 0.75 | — | — | |
| SCHEMBL18472753 | 0.69 | — | — | |
| SCHEMBL4422158 | 0.68 | — | — | |
| SCHEMBL22336397 | 0.68 | — | — | |
| SCHEMBL14410710 | 0.68 | — | — | |
| SCHEMBL13068646 | 0.68 | — | — | |
| SCHEMBL11370279 | 0.65 | — | — | |
| SCHEMBL5966685 | 0.63 | — | — |
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-1306418-B1 | Liquid crystalline medium and liquid crystal display | MERCK PATENT GMBH (DE) | 2008-06-04 | — | — | EP | disclosed |