⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11704775 | 0.89 | SIGMAR1 (0.31) | — | |
| SCHEMBL18525132 | 0.88 | SHBG (0.33) | — | |
| SCHEMBL16026475 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL11705472 | 0.79 | — | — | |
| SCHEMBL1352155 | 0.76 | — | — | |
| SCHEMBL11705760 | 0.73 | CTSL (0.30) | — | |
| SCHEMBL11706738 | 0.73 | — | — | |
| SCHEMBL27052903 | 0.69 | — | — | |
| SCHEMBL27052901 | 0.69 | — | — | |
| SCHEMBL6890783 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113429259-B | Fluorine-containing compound and application thereof | 中国科学院上海有机化学研究所 | 2023-03-24 | — | — | CN | claimed |
| EP-2368888-B1 | METHOD FOR MANUFACTURING SULFOLENE COMPOUND AND METHOD FOR MANUFACTURING SULFOLANE COMPOUND | SUMITOMO SEIKA CHEMICALS (JP) | 2014-03-26 | — | — | EP | disclosed |
| US-20140012018-A1 | SULFOLANE COMPOSITION | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 2014-01-09 | — | — | US | disclosed |
| US-8436193-B2 | Method for manufacturing sulfolene compound and method for manufacturing sulfolane compound | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 2013-05-07 | — | — | US | disclosed |
| US-20110288307-A1 | METHOD FOR MANUFACTURING SULFOLENE COMPOUND AND METHOD FOR MANUFACTURING SULFOLANE COMPOUND | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 2011-11-24 | — | — | US | disclosed |
| EP-2368888-A1 | METHOD FOR MANUFACTURING SULFOLENE COMPOUND AND METHOD FOR MANUFACTURING SULFOLANE COMPOUND | Sumitomo Seika Chemicals CO. LTD. (JP) | 2011-09-28 | — | — | EP | disclosed |