⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13558714 | 0.76 | TSHR (0.30) | — | |
| Acrylic Acid SCHEMBL31539178 | 0.69 | ARG1 (0.31) | — | |
| SCHEMBL15299822 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL30937766 | 0.69 | — | — | |
| SCHEMBL2234104 | 0.68 | — | — | |
| SCHEMBL1830873 | 0.68 | — | — | |
| SCHEMBL701845 | 0.65 | ARG1 (0.32) | — | |
| SCHEMBL18678360 | 0.64 | — | — | |
| SCHEMBL4243321 | 0.64 | — | — | |
| SCHEMBL10119350 | 0.62 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230006252-A1 | SILICON-BASED ENERGY STORAGE DEVICES WITH FUNCTIONALIZED LINEAR SULFONATE ESTER DERIVATIVE COMPOUND CONTAINING ELECTROLYTE ADDITIVES | ENEVATE CORPORATION | 2023-01-05 | — | — | US | disclosed |