⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3341079 | 0.79 | — | — | |
| SCHEMBL3342161 | 0.75 | — | — | |
| SCHEMBL3344692 | 0.72 | — | — | |
| SCHEMBL3343031 | 0.72 | — | — | |
| SCHEMBL2116433 | 0.66 | — | — | |
| SCHEMBL3340813 | 0.66 | CA14 (0.32) | — | |
| SCHEMBL3347074 | 0.65 | CHRM1 (0.36) | — | |
| SCHEMBL3338782 | 0.64 | — | — | |
| SCHEMBL3340701 | 0.63 | — | — | |
| SCHEMBL3342197 | 0.63 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8247596-B2 | Halogen-containing organosulfur compound and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-08-21 | — | — | US | disclosed |
| US-20100160422-A1 | HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-06-24 | — | — | US | disclosed |
| EP-2162429-A2 | HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF | Sumitomo Chemical Company, Limited (JP) | 2010-03-17 | — | — | EP | disclosed |
| WO-2009005110-A2 | HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-01-08 | — | — | WO | disclosed |