⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL328997 | 0.83 | TSHR (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL28109667 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL28611328 | 0.76 | — | — | |
| SCHEMBL5716954 | 0.76 | — | — | |
| SCHEMBL44830 | 0.76 | — | — | |
| SCHEMBL28544020 | 0.76 | — | — | |
| SCHEMBL16830966 | 0.74 | — | — | |
| SCHEMBL2728761 | 0.74 | — | — | |
| SCHEMBL18671478 | 0.74 | — | — | |
| SCHEMBL5868292 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021065457-A1 | BINDER COMPOSITION FOR SECONDARY BATTERIES, SLURRY COMPOSITION FOR SECONDARY BATTERY ELECTRODES, ELECTRODE FOR SECONDARY BATTERIES, AND SECONDARY BATTERY | 日本ゼオン株式会社 | 2021-04-08 | — | — | WO | disclosed |
| EP-2246407-B1 | 2-Hydroxy-3-alkoxypropyl sulfides, sulfones, and sulfoxides: new surface active agents | AIR PROD & CHEM (US) | 2014-04-16 | — | — | EP | disclosed |
| EP-2246407-A1 | 2-Hydroxy-3-alkoxypropyl sulfides, sulfones, and sulfoxides: new surface active agents | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2010-11-03 | — | — | EP | disclosed |
| EP-1657288-B1 | 2-Hydroxy-3-alkoxypropyl sulfides, sulfones, and sulfoxides: new surface active agents | AIR PROD & CHEM (US) | 2010-06-30 | — | — | EP | disclosed |
| EP-1657288-A1 | 2-Hydroxy-3-alkoxypropyl sulfides, sulfones, and sulfoxides: new surface active agents | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2006-05-17 | — | — | EP | disclosed |