⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13065965 | 0.90 | — | — | |
| SCHEMBL13065702 | 0.87 | — | — | |
| SCHEMBL18476122 | 0.86 | — | — | |
| SCHEMBL12656905 | 0.84 | — | — | |
| SCHEMBL9607772 | 0.84 | — | — | |
| SCHEMBL16855267 | 0.82 | — | — | |
| SCHEMBL13186006 | 0.82 | — | — | |
| SCHEMBL883564 | 0.82 | — | — | |
| SCHEMBL18689287 | 0.80 | — | — | |
| SCHEMBL18470999 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2248872-B1 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2013-01-09 | — | — | EP | disclosed |
| EP-2248872-A2 | Liquid crystalline medium | Merck Patent GmbH (DE) | 2010-11-10 | — | — | EP | disclosed |
| EP-1908813-A1 | Liquid crystalline medium | Merck Patent GmbH (DE) | 2008-04-09 | — | — | EP | disclosed |