⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12906835 | 0.92 | GSTO1 (0.32) | — | |
| SCHEMBL12907538 | 0.88 | — | — | |
| SCHEMBL12906946 | 0.87 | — | — | |
| SCHEMBL13586083 | 0.87 | — | — | |
| SCHEMBL12821108 | 0.86 | APP (0.35) | — | |
| SCHEMBL12994315 | 0.86 | — | — | |
| SCHEMBL12908019 | 0.86 | — | — | |
| SCHEMBL12836061 | 0.85 | — | — | |
| SCHEMBL10303320 | 0.84 | IDH1 (0.32) | — | |
| SCHEMBL13586113 | 0.83 | — | — |
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-2266941-A1 | TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | Chisso Corporation (JP) | 2010-12-29 | — | — | EP | disclosed |
| WO-2009125668-A1 | TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | チッソ株式会社 (JP) | 2009-10-15 | — | — | WO | disclosed |