⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL327418 | 1.00 | — | — | |
| SCHEMBL303463 | 0.87 | KCNQ2 (0.48) | — | |
| SCHEMBL5674784 | 0.87 | KCNQ2 (0.48) | — | |
| SCHEMBL5673694 | 0.85 | TRPV1 (0.56) | — | |
| SCHEMBL302574 | 0.85 | TRPV1 (0.56) | — | |
| SCHEMBL15959204 | 0.79 | — | — | |
| SCHEMBL310024 | 0.78 | — | — | |
| SCHEMBL5673748 | 0.78 | APP (0.50) | — | |
| SCHEMBL5674525 | 0.77 | — | — | |
| SCHEMBL5674527 | 0.77 | — | — |
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-8642657-B2 | 4-(methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same | GRUENENTHAL GMBH (DE) | 2014-02-04 | — | — | US | disclosed |
| EP-1658265-A4 | 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | GRUENENTHAL GMBH (DE) | 2006-11-29 | — | — | EP | disclosed |
| US-20060258884-A1 | 4-(Methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same | GRUENENTHAL GMBH (DE) | 2006-11-16 | — | — | US | disclosed |
| EP-1658265-A1 | 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | Grünenthal GmbH (DE) | 2006-05-24 | — | — | EP | disclosed |
| WO-2005003084-A1 | 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | GRUNENTHAL GMBH (DE) | 2005-01-13 | — | — | WO | disclosed |