⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16855487 | 0.95 | — | — | |
| SCHEMBL14158992 | 0.79 | — | — | |
| SCHEMBL13548359 | 0.75 | — | — | |
| SCHEMBL17523462 | 0.72 | MAPT (0.36) | — | |
| SCHEMBL15810581 | 0.68 | — | — | |
| SCHEMBL12967911 | 0.68 | — | — | |
| SCHEMBL14640085 | 0.68 | — | — | |
| SCHEMBL15372621 | 0.67 | — | — | |
| SCHEMBL9972443 | 0.67 | — | — | |
| SCHEMBL16351952 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160325231-A1 | PROCESS FOR THE PURIFICATION OF A LIQUID-CRYSTAL MIXTURE | MERCK PATENT GMBH (DE) | 2016-11-10 | — | — | US | disclosed |
| US-20160272346-A1 | FILLING DEVICE AND USE THEREOF FOR DISPENSING A FLUID | MERCK PATENT GMBH (DE) | 2016-09-22 | — | — | US | disclosed |
| US-20160046863-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2016-02-18 | — | — | US | disclosed |
| US-20150166890-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-06-18 | — | — | US | disclosed |
| EP-2883934-A1 | Liquid-crystalline medium | Merck Patent GmbH (DE) | 2015-06-17 | — | — | EP | disclosed |