⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28261315 | 0.80 | CXCR2 (0.33) | — | |
| SCHEMBL20177820 | 0.77 | — | — | |
| SCHEMBL24027196 | 0.77 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL8318850 | 0.74 | — | — | |
| SCHEMBL4324998 | 0.74 | HTR2A (0.36) | — | |
| SCHEMBL25514337 | 0.72 | — | — | |
| SCHEMBL20609902 | 0.72 | — | — | |
| SCHEMBL16488092 | 0.70 | — | — | |
| SCHEMBL24008864 | 0.70 | — | — | |
| SCHEMBL25782698 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2018102419-A1 | COMPOUNDS CONTAINING A SULFONIC GROUP AS KAT INHIBITORS | Epizyme, Inc. (US) | 2018-06-07 | — | — | WO | disclosed |
| US-8129546-B2 | Derivatives for modulation of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-06 | — | — | US | disclosed |
| US-20110077269-A1 | DERIVATIVES FOR MODULATION OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-31 | — | — | US | disclosed |