⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13025803 | 0.82 | — | — | |
| SCHEMBL13025835 | 0.80 | FFAR4 (0.33) | — | |
| SCHEMBL13025991 | 0.79 | — | — | |
| SCHEMBL13025905 | 0.74 | — | — | |
| SCHEMBL13025662 | 0.74 | VEGFA (0.34) | — | |
| SCHEMBL13025828 | 0.74 | NPC1 (0.34) | — | |
| SCHEMBL13025807 | 0.74 | S1PR1 (0.32) | — | |
| SCHEMBL13025820 | 0.73 | — | — | |
| SCHEMBL13067349 | 0.73 | AKR1C3 (0.30) | — | |
| SCHEMBL13025827 | 0.73 | CASR (0.30) | — |
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 4 patents. 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 |
| US-7838087-B2 | Benzene derivative, liquid crystal composition and liquid crystal display device | CHISSO CORPORATION (JP) | 2010-11-23 | — | — | US | disclosed |
| US-20070200092-A1 | Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device | JNC PETROCHEMICAL CORPORATION (JP) | 2007-08-30 | — | — | US | disclosed |
| US-20070200092-A1 | Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device | JNC PETROCHEMICAL CORPORATION (JP) | 2007-08-30 | — | — | US | disclosed |