⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8940581 | 1.00 | — | — | |
| SCHEMBL8940330 | 1.00 | — | — | |
| SCHEMBL8940344 | 1.00 | — | — | |
| SCHEMBL8940368 | 0.99 | — | — | |
| SCHEMBL8940326 | 0.97 | — | — | |
| SCHEMBL8940438 | 0.94 | FPR2 (0.32) | — | |
| SCHEMBL8940626 | 0.94 | — | — | |
| SCHEMBL8940490 | 0.93 | KDM1A (0.34) | — | |
| SCHEMBL8940574 | 0.91 | GABRA1 (0.32) | — | |
| SCHEMBL8940456 | 0.91 | GABRA1 (0.32) | — |
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-8187494-B2 | Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2012-05-29 | — | — | US | disclosed |