⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9016050 | 0.87 | ESR2 (0.33) | — | |
| SCHEMBL13937684 | 0.82 | AR (0.31) | — | |
| SCHEMBL9016043 | 0.82 | ESR2 (0.33) | — | |
| SCHEMBL9015222 | 0.81 | HSD17B1 (0.33) | — | |
| SCHEMBL9019918 | 0.77 | — | — | |
| SCHEMBL8939145 | 0.74 | — | — | |
| SCHEMBL13263309 | 0.73 | — | — | |
| SCHEMBL9019075 | 0.73 | MMP2 (0.30) | — | |
| SCHEMBL9021018 | 0.72 | — | — | |
| SCHEMBL13937688 | 0.71 | CCNT1 (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 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 |