⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10959564 | 0.77 | PGK1 (0.34) | — | |
| SCHEMBL13406321 | 0.75 | PLK1 (0.30) | — | |
| SCHEMBL13406305 | 0.71 | CXCR1 (0.36) | — | |
| SCHEMBL13406865 | 0.65 | CXCR1 (0.35) | — | |
| SCHEMBL13439892 | 0.64 | CXCR1 (0.35) | — | |
| SCHEMBL10909912 | 0.63 | PKM (0.39) | — | |
| SCHEMBL9965491 | 0.60 | LMNA (0.31) | — | |
| SCHEMBL19465303 | 0.58 | HTT (0.35) | — | |
| SCHEMBL28952695 | 0.58 | — | — | |
| SCHEMBL10965191 | 0.57 | CYP1A2 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7691856-B2 | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2010-04-06 | — | — | US | disclosed |
| US-7691856-B2 | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2010-04-06 | — | — | US | disclosed |
| EP-1551818-B1 | THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS | SCHERING CORP (US) | 2009-02-04 | — | — | EP | disclosed |
| US-20070264230-A1 | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION | 2007-11-15 | — | — | US | disclosed |
| US-20070264230-A1 | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION | 2007-11-15 | — | — | US | disclosed |