⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL597785 | 0.74 | — | — | |
| SCHEMBL16316784 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL2233469 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL4402696 | 0.70 | — | — | |
| SCHEMBL14003189 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL12148168 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL92879 | 0.66 | — | — | |
| SCHEMBL5932814 | 0.65 | — | — | |
| SCHEMBL18813377 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL597648 | 0.65 | TSHR (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2360143-B1 | SULFONE COMPOUNDS FOR USE AS SOLVENT FOR ELECTROCHEMICAL DEVICES | SUMITOMO SEIKA CHEMICALS (JP) | 2017-08-16 | — | — | EP | disclosed |
| US-8466324-B2 | Sulfone compound | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 2013-06-18 | — | — | US | disclosed |
| US-20110257438-A1 | SULFONE COMPOUND | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 2011-10-20 | — | — | US | disclosed |
| EP-2360143-A1 | SULFONE COMPOUND | Sumitomo Seika Chemicals CO. LTD. (JP) | 2011-08-24 | — | — | EP | disclosed |