⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL322265 | 0.71 | NOS3 (0.30) | — | |
| SCHEMBL11021725 | 0.67 | — | — | |
| SCHEMBL385788 | 0.64 | — | — | |
| SCHEMBL863460 | 0.63 | — | — | |
| SCHEMBL2542443 | 0.62 | — | — | |
| SCHEMBL261984 | 0.60 | — | — | |
| SCHEMBL20076761 | 0.60 | — | — | |
| SCHEMBL43311 | 0.60 | EPHX1 (0.31) | — | |
| SCHEMBL7652456 | 0.60 | — | — | |
| SCHEMBL2114715 | 0.60 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2162429-B1 | HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL CO (JP) | 2016-04-13 | — | — | EP | disclosed |
| 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 |