⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11461024 | 0.67 | — | — | |
| SCHEMBL11428870 | 0.65 | — | — | |
| SCHEMBL654712 | 0.64 | — | — | |
| SCHEMBL82941 | 0.64 | — | — | |
| SCHEMBL7068378 | 0.61 | — | — | |
| SCHEMBL44990 | 0.61 | — | — | |
| SCHEMBL4667264 | 0.61 | — | — | |
| SCHEMBL4529855 | 0.61 | — | — | |
| SCHEMBL10785348 | 0.61 | — | — | |
| SCHEMBL343501 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6329027-B1 | Chlorobenzene derivatives, liquid-crystal composition, and liquid-crystal display elements | CHISSO CORPORATION (JP) | 2001-12-11 | — | — | US | disclosed |
| EP-0959060-A1 | CHLOROBENZENE DERIVATIVES, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENTS | CHISSO CORPORATION (JP) | 1999-11-24 | — | — | EP | disclosed |
| US-4192892-A | MANDELIC ACID AMIDE DERIVATIVES | SWEDEM AB (SE) | 1980-03-11 | — | — | US | disclosed |