⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12627131 | 0.79 | CXCR1 (0.30) | — | |
| SCHEMBL9918832 | 0.78 | — | — | |
| SCHEMBL9918201 | 0.78 | — | — | |
| SCHEMBL12260242 | 0.78 | — | — | |
| SCHEMBL12260243 | 0.76 | — | — | |
| SCHEMBL13204774 | 0.76 | — | — | |
| SCHEMBL12260245 | 0.76 | CXCR1 (0.31) | — | |
| SCHEMBL18896346 | 0.74 | — | — | |
| SCHEMBL12261841 | 0.73 | LMNA (0.34) | — | |
| SCHEMBL12261896 | 0.73 | LMNA (0.34) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7960433-B2 | Treatment of chemokine mediated diseases | SCHERING CORPORATION (US) | 2011-06-14 | — | — | US | disclosed |
| US-7960433-B2 | Treatment of chemokine mediated diseases | SCHERING CORPORATION (US) | 2011-06-14 | — | — | US | disclosed |
| US-7786149-B2 | Thiadiazoles as CXC- and CC- chemokine receptor ligands | SCHERING CORP. (US) | 2010-08-31 | — | — | US | disclosed |
| US-7786149-B2 | Thiadiazoles as CXC- and CC- chemokine receptor ligands | SCHERING CORP. (US) | 2010-08-31 | — | — | US | disclosed |
| US-7671212-B2 | Isothiazole dioxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2010-03-02 | — | — | US | disclosed |
| US-7671212-B2 | Isothiazole dioxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2010-03-02 | — | — | US | disclosed |
| US-20080090823-A1 | THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS | MERCK SHARP & DOHME CORP. | 2008-04-17 | — | — | US | disclosed |
| US-20080090823-A1 | THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS | MERCK SHARP & DOHME CORP. | 2008-04-17 | — | — | US | disclosed |
| US-7338968-B2 | Thiadiazoles AS CXC- and CC- chemokine receptor ligands | SCHERING CORPORATION (US) | 2008-03-04 | — | — | US | disclosed |
| US-20070155756-A1 | Treatment of chemokine mediated diseases | SCHERING CORPORATION | 2007-07-05 | — | — | US | disclosed |
| US-20070155756-A1 | Treatment of chemokine mediated diseases | SCHERING CORPORATION | 2007-07-05 | — | — | US | disclosed |