⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30163540 | 0.67 | — | — | |
| SCHEMBL4078451 | 0.63 | — | — | |
| SCHEMBL4740241 | 0.61 | — | — | |
| SCHEMBL18169415 | 0.61 | — | — | |
| SCHEMBL4803476 | 0.61 | — | — | |
| SCHEMBL29050085 | 0.61 | — | — | |
| SCHEMBL29042828 | 0.59 | — | — | |
| SCHEMBL5375847 | 0.58 | MAOA (0.34) | — | |
| SCHEMBL16517736 | 0.50 | — | — | |
| SCHEMBL1755914 | 0.46 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7420055-B2 | Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide | CHEMOCENTRYX, INC. (US) | 2008-09-02 | — | — | US | disclosed |
| US-20050137193-A1 | Aryl sulfonamides | CHEMOCENTREYX | 2005-06-23 | — | — | US | disclosed |