⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1416114 | 0.80 | — | — | |
| SCHEMBL15890229 | 0.78 | — | — | |
| SCHEMBL21106849 | 0.76 | CYP3A4 (0.39) | — | |
| SCHEMBL1415900 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL21123375 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL1106979 | 0.73 | — | — | |
| SCHEMBL1416027 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL524350 | 0.70 | — | — | |
| SCHEMBL2780100 | 0.70 | — | — | |
| SCHEMBL8858075 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100152186-A1 | TRIAZOLYL PYRIDYL BENZENESULFONAMIDES | CHEMOCENTRYX, INC. (US) | 2010-06-17 | — | — | US | disclosed |
| EP-2049515-A2 | TRIAZOLYL PYRIDYL BENZENESULFONAMIDES AS CCR2 OR CCR9 MODULATORS FOR THE TREATMENT OF ATHEROSCLEROSIS | ChemoCentryx Inc (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008008375-A2 | TRIAZOLYL PYRIDYL BENZENESULFONAMIDES AS CCR2 OR CCR9 MODULATORS FOR THE TREATMENT OF INFLAMMATION | CHEMOCENTRYX, INC. (US) | 2008-01-17 | — | — | WO | disclosed |