⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14421637 | 0.92 | SCN9A (0.31) | — | |
| SCHEMBL20072521 | 0.89 | ALOX5 (0.30) | — | |
| SCHEMBL19844683 | 0.88 | SCN9A (0.31) | — | |
| SCHEMBL20118272 | 0.88 | SCN9A (0.33) | — | |
| SCHEMBL17070276 | 0.88 | — | — | |
| SCHEMBL18855157 | 0.86 | — | — | |
| SCHEMBL17031583 | 0.86 | — | — | |
| SCHEMBL20063281 | 0.85 | — | — | |
| SCHEMBL20111060 | 0.84 | SCN9A (0.32) | — | |
| SCHEMBL6402962 | 0.83 | TLR4 (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 |
|---|---|---|---|---|---|---|---|
| EP-2703473-B1 | NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING SAME | DAINIPPON INK & CHEMICALS (JP) | 2016-09-21 | — | — | EP | disclosed |