⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18310460 | 0.84 | KCNH2 (0.32) | — | |
| SCHEMBL9774054 | 0.81 | NPC1 (0.44) | — | |
| SCHEMBL9774063 | 0.81 | NPC1 (0.44) | — | |
| SCHEMBL9774044 | 0.81 | NPC1 (0.44) | — | |
| SCHEMBL19829096 | 0.79 | MAPT (0.32) | — | |
| SCHEMBL18310442 | 0.78 | HRH3 (0.33) | — | |
| SCHEMBL8972046 | 0.77 | MAPK1 (0.40) | — | |
| SCHEMBL9313076 | 0.77 | MAPK1 (0.40) | — | |
| SCHEMBL9313072 | 0.77 | MAPK1 (0.40) | — | |
| SCHEMBL8972052 | 0.77 | MAPK1 (0.40) | — |
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-20180030351-A1 | LIQUID CRYSTAL COMPOUND HAVING POLYFLUORO-2-BUTENOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2018-02-01 | — | — | US | disclosed |