⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12994315 | 0.93 | — | — | |
| SCHEMBL13586119 | 0.90 | — | — | |
| SCHEMBL12821183 | 0.89 | — | — | |
| SCHEMBL13586098 | 0.89 | — | — | |
| SCHEMBL13586092 | 0.89 | — | — | |
| SCHEMBL12716156 | 0.87 | CYP2C9 (0.33) | — | |
| SCHEMBL13586083 | 0.87 | — | — | |
| SCHEMBL12908019 | 0.86 | — | — | |
| SCHEMBL12994738 | 0.84 | BRD4 (0.31) | — | |
| SCHEMBL12906976 | 0.84 | KDM1A (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-2009150966-A1 | TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | チッソ株式会社 (JP) | 2009-12-17 | — | — | WO | disclosed |