⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2485510 | 0.80 | GLP1R (0.31) | — | |
| SCHEMBL2487175 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL17376609 | 0.72 | CNR2 (0.33) | — | |
| SCHEMBL2486590 | 0.72 | PDE8B (0.36) | — | |
| SCHEMBL4255696 | 0.71 | — | — | |
| SCHEMBL4080574 | 0.68 | — | — | |
| SCHEMBL4073653 | 0.68 | — | — | |
| SCHEMBL4073558 | 0.67 | CTSK (0.35) | — | |
| SCHEMBL1935876 | 0.64 | — | — | |
| Fluoride SCHEMBL28143708 | 0.64 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8513162-B2 | Halogen-containing organosulfur compound and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-08-20 | — | — | US | disclosed |
| US-8513162-B2 | Halogen-containing organosulfur compound and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-08-20 | — | — | US | disclosed |
| US-20110257226-A1 | HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-10-20 | — | — | US | disclosed |
| US-20110257226-A1 | HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-10-20 | — | — | US | disclosed |
| EP-2376450-A1 | HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST | Sumitomo Chemical Company, Limited (JP) | 2011-10-19 | — | — | EP | disclosed |
| WO-2010074327-A1 | HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-07-01 | — | — | WO | disclosed |
| WO-2010074327-A1 | HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-07-01 | — | — | WO | disclosed |