⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6720164 | 0.79 | — | — | |
| SCHEMBL22006126 | 0.78 | CYP1A2 (0.32) | — | |
| SCHEMBL12879484 | 0.76 | CYP1A2 (0.36) | — | |
| SCHEMBL43433 | 0.71 | — | — | |
| SCHEMBL32667642 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL2150283 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL2222242 | 0.71 | ALDH1A1 (0.37) | — | |
| Hydrogen Sulfide SCHEMBL5675254 | 0.68 | — | — | |
| Bromide SCHEMBL497961 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL145222 | 0.68 | — | — |
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-8182716-B2 | Liquid crystal compound, liquid crystal composition comprising the same, and optical film using the same liquid crystal composition | LG CHEM, LTD. (KR) | 2012-05-22 | — | — | US | disclosed |