⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4549772 | 1.00 | — | — | |
| SCHEMBL13746674 | 0.92 | — | — | |
| SCHEMBL13523750 | 0.92 | — | — | |
| SCHEMBL883345 | 0.92 | — | — | |
| SCHEMBL8220510 | 0.86 | — | — | |
| SCHEMBL12917717 | 0.82 | — | — | |
| SCHEMBL14001637 | 0.80 | — | — | |
| SCHEMBL8220123 | 0.79 | — | — | |
| SCHEMBL9926395 | 0.79 | — | — | |
| SCHEMBL18951183 | 0.78 | ACHE (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2284148-B1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC CORP (JP) | 2016-03-02 | — | — | EP | disclosed |
| WO-2011137956-A1 | LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2011-11-10 | — | — | WO | disclosed |
| WO-2010017868-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2010-02-18 | — | — | WO | disclosed |
| WO-2009129915-A1 | THIOPHENE DERIVATIVES, AND LC MEDIA CONTAINING THE SAME | MERCK PATENT GMBH (DE) | 2009-10-29 | — | — | WO | disclosed |
| EP-1690916-B1 | Mesogenic compounds, liquid crystal medium and liquid crystal display | MERCK PATENT GMBH (DE) | 2008-03-12 | — | — | EP | disclosed |
| US-6030545-A | HAVING A REDUCED VISCOSITY, A WIDE LIQUID CRYSTAL TEMPERATURE RANGE (HIGH CLEARING POINT), A HIGH CHEMICAL STABILITY (EXTREMELY HIGH SPECIFIC RESISTANCE, HIGH VOLTAGE HOLDING RATIO) AND A HIGH SOLUBILITY WITH OTHER LIQUID-CRYSTAL | CHISSO CORPORATION (JP) | 2000-02-29 | — | — | US | disclosed |