⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12656905 | 0.89 | — | — | |
| SCHEMBL13671611 | 0.88 | — | — | |
| SCHEMBL13065965 | 0.85 | — | — | |
| SCHEMBL14393321 | 0.83 | — | — | |
| SCHEMBL13671195 | 0.82 | — | — | |
| SCHEMBL13673237 | 0.82 | — | — | |
| SCHEMBL9912626 | 0.81 | — | — | |
| SCHEMBL14039639 | 0.79 | — | — | |
| SCHEMBL22359964 | 0.79 | — | — | |
| SCHEMBL13356903 | 0.77 | — | — |
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 |