⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9014603 | 0.92 | BACE1 (0.32) | — | |
| SCHEMBL13263172 | 0.91 | — | — | |
| SCHEMBL13263112 | 0.89 | — | — | |
| SCHEMBL12999725 | 0.86 | — | — | |
| SCHEMBL10163690 | 0.85 | ESR2 (0.32) | — | |
| SCHEMBL13000116 | 0.83 | KDM1A (0.31) | — | |
| SCHEMBL13000814 | 0.81 | — | — | |
| SCHEMBL10152440 | 0.81 | ESR2 (0.31) | — | |
| SCHEMBL13000402 | 0.81 | — | — | |
| SCHEMBL9019732 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2206695-A1 | TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | Chisso Corporation (JP) | 2010-07-14 | — | — | EP | disclosed |