⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16440615 | 0.83 | OGA (0.32) | — | |
| SCHEMBL15723272 | 0.73 | — | — | |
| SCHEMBL377542 | 0.72 | GABRA1 (0.48) | — | |
| SCHEMBL7085860 | 0.72 | GABRA1 (0.42) | — | |
| SCHEMBL15723317 | 0.70 | CCR2 (0.38) | — | |
| SCHEMBL12024951 | 0.70 | KCNH2 (0.44) | — | |
| SCHEMBL19102418 | 0.70 | KCNH2 (0.44) | — | |
| SCHEMBL15784643 | 0.66 | — | — | |
| SCHEMBL7082656 | 0.65 | POLB (0.38) | — | |
| SCHEMBL25468629 | 0.65 | CA1 (0.39) | — |
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-8946446-B2 | Pyrrolo sulfonamide compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-γ (ROR-γ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases | PHENEX PHARMACEUTICALS AG (DE) | 2015-02-03 | — | — | US | disclosed |
| US-20140142082-A1 | PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (ROR-GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES | PHENEX PHARMACEUTICALS AG (DE) | 2014-05-22 | — | — | US | disclosed |