⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9017444 | 0.90 | HSD17B1 (0.32) | — | |
| SCHEMBL8951015 | 0.90 | KLKB1 (0.30) | — | |
| SCHEMBL13000445 | 0.89 | — | — | |
| SCHEMBL13263051 | 0.88 | GSK3B (0.31) | — | |
| SCHEMBL8951017 | 0.88 | — | — | |
| SCHEMBL12999729 | 0.88 | — | — | |
| SCHEMBL8951139 | 0.87 | GRIN1 (0.33) | — | |
| SCHEMBL10152942 | 0.87 | — | — | |
| SCHEMBL10152629 | 0.86 | — | — | |
| SCHEMBL9015802 | 0.86 | OPRL1 (0.35) | — |
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 |