⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17791348 | 0.86 | — | — | |
| SCHEMBL15372621 | 0.80 | — | — | |
| SCHEMBL9972443 | 0.80 | — | — | |
| SCHEMBL16351962 | 0.79 | — | — | |
| SCHEMBL13299239 | 0.79 | — | — | |
| SCHEMBL12967911 | 0.78 | — | — | |
| SCHEMBL15810581 | 0.78 | — | — | |
| SCHEMBL16351952 | 0.76 | — | — | |
| SCHEMBL16789879 | 0.75 | — | — | |
| SCHEMBL13299264 | 0.73 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140375943-A1 | POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS | MERCK PATENT GMBH (DE) | 2014-12-25 | — | — | US | disclosed |