⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23787992 | 0.92 | — | — | |
| SCHEMBL21181536 | 0.88 | — | — | |
| SCHEMBL21609117 | 0.87 | — | — | |
| SCHEMBL21609113 | 0.87 | — | — | |
| SCHEMBL20003594 | 0.85 | — | — | |
| SCHEMBL12056081 | 0.84 | — | — | |
| SCHEMBL20083495 | 0.84 | KDM1A (0.33) | — | |
| SCHEMBL2741533 | 0.84 | — | — | |
| SCHEMBL18486759 | 0.83 | — | — | |
| SCHEMBL19478714 | 0.83 | — | — |
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-2933309-B1 | LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORP (JP) | 2018-04-25 | — | — | EP | disclosed |