⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13239341 | 0.92 | — | — | |
| SCHEMBL13239356 | 0.92 | — | — | |
| SCHEMBL20152484 | 0.87 | — | — | |
| SCHEMBL18193740 | 0.87 | — | — | |
| SCHEMBL18966015 | 0.85 | — | — | |
| SCHEMBL13239342 | 0.84 | — | — | |
| SCHEMBL12895581 | 0.83 | — | — | |
| SCHEMBL14473355 | 0.83 | — | — | |
| SCHEMBL13038190 | 0.82 | — | — | |
| SCHEMBL19624002 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7754103-B2 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2010-07-13 | — | — | US | disclosed |
| US-20090194738-A1 | Liquid-crystalline medium | MANABE ATSUTAKA | 2009-08-06 | — | — | US | disclosed |
| US-7201951-B2 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2007-04-10 | — | — | US | disclosed |