⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12834326 | 0.84 | FPR2 (0.31) | — | |
| SCHEMBL13067339 | 0.83 | S1PR1 (0.32) | — | |
| SCHEMBL13067338 | 0.83 | S1PR1 (0.32) | — | |
| SCHEMBL13066729 | 0.82 | CYP2C9 (0.39) | — | |
| SCHEMBL13066720 | 0.77 | ESR2 (0.32) | — | |
| SCHEMBL4419696 | 0.77 | ESR2 (0.33) | — | |
| SCHEMBL13066739 | 0.76 | — | — | |
| SCHEMBL13026012 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL7912145 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL7912139 | 0.75 | ALDH1A1 (0.36) | — |
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-7838087-B2 | Benzene derivative, liquid crystal composition and liquid crystal display device | CHISSO CORPORATION (JP) | 2010-11-23 | — | — | US | disclosed |