⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14747930 | 0.71 | NQO2 (0.38) | — | |
| SCHEMBL6903114 | 0.71 | — | — | |
| SCHEMBL10064152 | 0.71 | — | — | |
| SCHEMBL14191788 | 0.69 | — | — | |
| SCHEMBL13994378 | 0.69 | — | — | |
| SCHEMBL12332974 | 0.69 | — | — | |
| SCHEMBL6346474 | 0.69 | — | — | |
| SCHEMBL12332450 | 0.69 | — | — | |
| SCHEMBL12698795 | 0.69 | — | — | |
| SCHEMBL13647550 | 0.69 | S100A4 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011014039-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2011-02-03 | — | — | WO | disclosed |
| WO-2010132601-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2010-11-18 | — | — | WO | disclosed |
| EP-1897928-B1 | Chlorofluorobenzene liquid crystal compound, liquid crystal composition and liquid crystal display device | CHISSO CORP (JP) | 2010-10-27 | — | — | EP | disclosed |