⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7582845 | 1.00 | — | — | |
| SCHEMBL820708 | 0.93 | NOS3 (0.32) | — | |
| SCHEMBL2892409 | 0.85 | — | — | |
| SCHEMBL815076 | 0.82 | NOS1 (0.37) | — | |
| SCHEMBL432351 | 0.82 | — | — | |
| SCHEMBL7770613 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL8849504 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL20888526 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL7770611 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL7770608 | 0.82 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| EP-0872484-B1 | ORGANOSILICON COMPOUNDS, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT | CHISSO CORP (JP) | 2002-10-02 | — | — | EP | disclosed |
| US-5993690-A | Organosilicon compound, liquid crystal composition, and liquid-crystal display element | CHISSO CORPORATION (JP) | 1999-11-30 | — | — | US | disclosed |
| EP-0872484-A1 | ORGANOSILICON COMPOUNDS, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT | CHISSO CORPORATION (JP) | 1998-10-21 | — | — | EP | disclosed |