⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22010938 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL18351456 | 0.75 | — | — | |
| SCHEMBL22010810 | 0.75 | PGAM1 (0.35) | — | |
| SCHEMBL22011795 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL18351352 | 0.69 | — | — | |
| SCHEMBL20828855 | 0.66 | ALDH1A1 (0.40) | — | |
| SCHEMBL22011800 | 0.65 | HTT (0.37) | — | |
| SCHEMBL22011801 | 0.64 | — | — | |
| SCHEMBL17369450 | 0.63 | RIPK1 (0.33) | — | |
| SCHEMBL14220184 | 0.62 | P2RX7 (0.31) | — |
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 |