⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13038190 | 0.90 | — | — | |
| SCHEMBL18193740 | 0.85 | — | — | |
| SCHEMBL20152484 | 0.85 | — | — | |
| SCHEMBL20664325 | 0.83 | — | — | |
| SCHEMBL15317429 | 0.81 | — | — | |
| SCHEMBL20664246 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL20842560 | 0.78 | — | — | |
| SCHEMBL4406878 | 0.77 | — | — | |
| SCHEMBL20842570 | 0.77 | — | — | |
| SCHEMBL20664264 | 0.76 | TSHR (0.31) | — |
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-9133397-B2 | Tricyclic compound having a plurality of CF2O bonding groups, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2015-09-15 | — | — | US | disclosed |
| US-20130271719-A1 | TRICYCLIC COMPOUND HAVING A PLURALITY OF CF2O BONDING GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2013-10-17 | — | — | US | disclosed |