⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14563651 | 1.00 | — | — | |
| SCHEMBL13900990 | 0.91 | — | — | |
| SCHEMBL14410794 | 0.87 | TSHR (0.30) | — | |
| SCHEMBL14555110 | 0.87 | TSHR (0.30) | — | |
| SCHEMBL9613617 | 0.87 | — | — | |
| SCHEMBL9613632 | 0.87 | — | — | |
| SCHEMBL12995460 | 0.87 | — | — | |
| SCHEMBL12438309 | 0.87 | ALDH1A1 (0.40) | — | |
| SCHEMBL9613622 | 0.87 | — | — | |
| SCHEMBL17546488 | 0.81 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012022417-A1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAYS | MERCK PATENT GMBH (DE) | 2012-02-23 | — | — | WO | disclosed |
| WO-2010017868-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2010-02-18 | — | — | WO | disclosed |
| WO-2009103495-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2009-08-27 | — | — | WO | disclosed |
| WO-2008009398-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2008-01-24 | — | — | WO | disclosed |
| EP-1565540-B1 | LIQUID CRYSTALLINE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-09-26 | — | — | EP | disclosed |