⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL1592185 | 0.94 | — | — | |
| SCHEMBL307808 | 0.93 | — | — | |
| Iodide SCHEMBL2585 | 0.86 | — | — | |
| Fluoride SCHEMBL4618711 | 0.86 | — | — | |
| Bromide SCHEMBL543270 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL50537 | 0.86 | — | — | |
| SCHEMBL11120742 | 0.77 | — | — | |
| SCHEMBL7520910 | 0.77 | — | — | |
| Sulfuric Acid SCHEMBL17102613 | 0.76 | CA5A (0.67) | — | |
| SCHEMBL34840 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6458817-B1 | AROMATIC SUBSTITUTED SUFURE OR SULFOXIDE OR SULFONE DERIVATIVES CONTAINING SECONDAY AMINE AND HYDROXY GROUPS ARE USEFUL IN TREATNG METABOLIC DISORDERS MEDIATED BY INSULIN RESISTANCE OR HYPERGLYCEMIA IN MAMMALS | WYETH | 2002-10-01 | — | — | US | disclosed |
| US-20020040023-A1 | Substituted arylsulfides, arylsulfoxides and arylsulfones as beta-3 adrenergic receptor agonists | AMERICAN HOME PRODUCTS CORPORATION (US) | 2002-04-04 | — | — | US | disclosed |
| WO-2002006250-A1 | SUBSTITUTED ARYLSULFIDES, ARYLSULFOXIDES AND ARYLSULFONES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS | WYETH (US) | 2002-01-24 | — | — | WO | disclosed |