⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22295373 | 1.00 | — | — | |
| SCHEMBL21087906 | 0.95 | — | — | |
| SCHEMBL20882853 | 0.87 | MAPT (0.31) | — | |
| SCHEMBL19854918 | 0.86 | MAPT (0.32) | — | |
| SCHEMBL21087896 | 0.86 | — | — | |
| SCHEMBL21087892 | 0.85 | MAPT (0.32) | — | |
| SCHEMBL21087925 | 0.85 | MAPT (0.32) | — | |
| SCHEMBL21088005 | 0.84 | MAPT (0.31) | — | |
| SCHEMBL21087911 | 0.84 | MAPT (0.32) | — | |
| SCHEMBL21088089 | 0.84 | TP53 (0.33) | — |
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-3495450-A1 | COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC Corporation (JP) | 2019-06-12 | — | — | EP | disclosed |