⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8577422 | 1.00 | — | — | |
| SCHEMBL8581040 | 1.00 | — | — | |
| SCHEMBL8581038 | 1.00 | — | — | |
| SCHEMBL8581033 | 1.00 | — | — | |
| SCHEMBL8577418 | 1.00 | — | — | |
| SCHEMBL8440120 | 0.88 | — | — | |
| SCHEMBL8440123 | 0.88 | — | — | |
| SCHEMBL8440127 | 0.88 | — | — | |
| SCHEMBL4567642 | 0.86 | GAA (0.32) | — | |
| SCHEMBL8649977 | 0.86 | GAA (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5730902-A | Optically active silacyclohexane compounds, liquid crystal compositions comprising the same and liquid crystal display devices comprising the compositions | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1998-03-24 | — | — | US | disclosed |
| EP-0761674-A1 | Optically active silacyclohexane compounds, liquid crystal compositions comprising the same and liquid crystal display devices comprising the compositions | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1997-03-12 | — | — | EP | disclosed |