⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22010791 | 0.89 | RIPK1 (0.30) | — | |
| SCHEMBL22010823 | 0.89 | EPHX1 (0.30) | — | |
| SCHEMBL22010822 | 0.89 | PGAM1 (0.33) | — | |
| SCHEMBL22011780 | 0.85 | — | — | |
| SCHEMBL22011196 | 0.85 | CNR2 (0.32) | — | |
| SCHEMBL22010811 | 0.84 | KDM4E (0.36) | — | |
| SCHEMBL22011232 | 0.84 | MAPT (0.32) | — | |
| SCHEMBL22010964 | 0.83 | KDM4E (0.37) | — | |
| SCHEMBL22011812 | 0.83 | HTR2C (0.32) | — | |
| SCHEMBL22011226 | 0.80 | HMGCR (0.36) | — |
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-10662378-B2 | Compound having fluorodibenzofuran ring, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2020-05-26 | — | — | US | disclosed |