⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21074590 | 0.92 | BCHE (0.32) | — | |
| SCHEMBL21074683 | 0.86 | — | — | |
| SCHEMBL21074602 | 0.82 | CYP2C9 (0.34) | — | |
| SCHEMBL21074588 | 0.79 | LSS (0.34) | — | |
| SCHEMBL21074682 | 0.79 | — | — | |
| SCHEMBL21074623 | 0.78 | THRB (0.38) | — | |
| SCHEMBL21074684 | 0.78 | PPARG (0.32) | — | |
| SCHEMBL21074619 | 0.74 | LSS (0.33) | — | |
| SCHEMBL19722518 | 0.73 | CYP2C9 (0.37) | — | |
| SCHEMBL21074603 | 0.73 | CYP2C9 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190169502-A1 | POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2019-06-06 | — | — | US | disclosed |