⚠ 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL5698994 | 0.76 | — | — | |
| SCHEMBL14566745 | 0.71 | — | — | |
| SCHEMBL9915833 | 0.69 | — | — | |
| SCHEMBL17503003 | 0.61 | — | — | |
| SCHEMBL13157175 | 0.60 | — | — | |
| SCHEMBL12643175 | 0.57 | — | — | |
| SCHEMBL11610766 | 0.57 | — | — | |
| SCHEMBL3248263 | 0.48 | — | — | |
| SCHEMBL6765508 | 0.45 | — | — | |
| SCHEMBL11730161 | 0.42 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-59186934-A | — | — | None | — | — | JP | disclosed |
| US-20070059607-A1 | Cyclic carbonate-modified organosilicon compound, non-aqueous electrolytic solution comprising same, secondary battery, and capacitor | SHIN-ESTU CHEMICAL CO., LTD. | 2007-03-15 | — | — | US | disclosed |
| JP-S59186934-A | PRODUCTION OF PRIMARY ALCOHOL | MITSUI PETROCHEM IND LTD | 1984-10-23 | — | — | JP | disclosed |