⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12994854 | 0.90 | — | — | |
| SCHEMBL12994528 | 0.90 | — | — | |
| SCHEMBL13654018 | 0.89 | S1PR1 (0.30) | — | |
| SCHEMBL10302882 | 0.88 | PDE4A (0.33) | — | |
| SCHEMBL12223950 | 0.88 | PDE4A (0.33) | — | |
| SCHEMBL13654125 | 0.87 | KDM1A (0.39) | — | |
| SCHEMBL12994451 | 0.85 | CPS1 (0.31) | — | |
| SCHEMBL13653997 | 0.85 | PDE4D (0.36) | — | |
| SCHEMBL13654048 | 0.85 | PDE4A (0.31) | — | |
| SCHEMBL10091425 | 0.85 | PDE4A (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |