⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10018759 | 1.00 | — | — | |
| SCHEMBL10259408 | 0.92 | — | — | |
| SCHEMBL13401014 | 0.92 | — | — | |
| SCHEMBL10018750 | 0.92 | — | — | |
| SCHEMBL10018758 | 0.89 | GRM2 (0.35) | — | |
| SCHEMBL12242930 | 0.89 | GRM2 (0.35) | — | |
| SCHEMBL14366239 | 0.89 | — | — | |
| SCHEMBL10260311 | 0.88 | — | — | |
| SCHEMBL10018757 | 0.88 | — | — | |
| SCHEMBL2741525 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9567522-B2 | Liquid crystal system and liquid crystal display | MERCK PATENT GMBH (DE) | 2017-02-14 | — | — | US | disclosed |
| US-7291367-B2 | Liquid-crystalline compounds | MERCK PATENT GMBH (DE) | 2007-11-06 | — | — | US | disclosed |