⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20219157 | 0.84 | — | — | |
| SCHEMBL8638340 | 0.81 | ROCK1 (0.30) | — | |
| SCHEMBL8638473 | 0.76 | GRM2 (0.36) | — | |
| SCHEMBL8643070 | 0.76 | GRM2 (0.36) | — | |
| SCHEMBL8639841 | 0.76 | GRM2 (0.36) | — | |
| SCHEMBL8640336 | 0.69 | NISCH (0.33) | — | |
| SCHEMBL8636717 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL22780688 | 0.67 | MAOB (0.32) | — | |
| SCHEMBL19027989 | 0.67 | — | — | |
| SCHEMBL16977148 | 0.67 | CYP2A6 (0.35) | — |
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-2907864-B2 | LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING THIS COMPOSITION | DAINIPPON INK & CHEMICALS (JP) | 2022-05-18 | — | — | EP | disclosed |