⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL883410 | 0.91 | — | — | |
| SCHEMBL12657094 | 0.87 | — | — | |
| SCHEMBL12807331 | 0.82 | — | — | |
| SCHEMBL9613601 | 0.82 | — | — | |
| SCHEMBL13465029 | 0.82 | — | — | |
| SCHEMBL883390 | 0.79 | — | — | |
| SCHEMBL10039799 | 0.79 | — | — | |
| SCHEMBL13464850 | 0.77 | — | — | |
| SCHEMBL13464794 | 0.77 | — | — | |
| SCHEMBL13992798 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1842894-B1 | Liquid crystalline medium and liquid crystal display | MERCK PATENT GMBH (DE) | 2011-05-04 | — | — | EP | disclosed |
| EP-1904470-B1 | S-INDACENE- AND INDENO[5,6-D][1,3]DIOXOL-DERIVATIVES AND USE THEREOF AS COMPONENTS OF LIQUID-CRYSTAL MIXTURES | MERCK PATENT GMBH (DE) | 2009-08-26 | — | — | EP | disclosed |