⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11484839 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL1754240 | 0.67 | TSHR (0.44) | — | |
| SCHEMBL1199046 | 0.65 | EPHX1 (0.52) | — | |
| SCHEMBL3644410 | 0.65 | EPHX1 (0.52) | — | |
| SCHEMBL270441 | 0.65 | EPHX1 (0.52) | — | |
| SCHEMBL1103798 | 0.65 | EPHX1 (0.52) | — | |
| SCHEMBL6571126 | 0.65 | TSHR (0.48) | — | |
| SCHEMBL12914371 | 0.65 | EPHX1 (0.52) | — | |
| SCHEMBL63809 | 0.65 | EPHX1 (0.52) | — | |
| SCHEMBL1199563 | 0.65 | EPHX1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114656418-A | (E) -benzo five-membered ring-styryl sulfonium salt derivatives, and preparation and application thereof | 同济大学 | 2022-06-24 | — | — | CN | disclosed |
| US-20120135997-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND | SHIONOGI & CO., LTD. (JP) | 2012-05-31 | — | — | US | disclosed |
| EP-2455370-A1 | PHARMACEUTICAL PRODUCT CONTAINING LACTAM OR BENZENE SULFONAMIDE COMPOUND | Shionogi&Co., Ltd. (JP) | 2012-05-23 | — | — | EP | disclosed |
| US-5266705-A | Reacting 2-halogenobenzaldehyde with polysulfide, reacting with monohalogenoacetone | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 1993-11-30 | — | — | US | disclosed |