⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5968114 | 1.00 | — | — | |
| SCHEMBL12213683 | 1.00 | — | — | |
| SCHEMBL883740 | 1.00 | — | — | |
| SCHEMBL883347 | 1.00 | — | — | |
| SCHEMBL9607887 | 1.00 | — | — | |
| SCHEMBL13465042 | 0.98 | — | — | |
| SCHEMBL12333587 | 0.98 | — | — | |
| SCHEMBL12333590 | 0.96 | — | — | |
| SCHEMBL12657299 | 0.94 | — | — | |
| SCHEMBL15292022 | 0.92 | ALDH1A1 (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014183825-A1 | LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DEVICE | MERCK PATENT GMBH (DE) | 2014-11-20 | — | — | WO | disclosed |
| WO-2014063817-A1 | LIQUID CRYSTALLINE MEDIUM AND ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2014-05-01 | — | — | WO | disclosed |
| EP-2208775-B1 | Liquid crystalline compound and liquid crystalline medium | MERCK PATENT GMBH (DE) | 2012-07-25 | — | — | EP | disclosed |
| WO-2012079676-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2012-06-21 | — | — | WO | disclosed |
| EP-1832643-B1 | Liquid crystalline medium and liquid-crystal display | MERCK PATENT GMBH (DE) | 2010-04-07 | — | — | EP | disclosed |
| EP-1717293-B1 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2009-03-11 | — | — | EP | disclosed |