⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6400381 | 0.83 | HPGD (0.30) | — | |
| SCHEMBL6979563 | 0.82 | HIF1A (0.31) | — | |
| SCHEMBL6605020 | 0.80 | PDE10A (0.33) | — | |
| SCHEMBL6403216 | 0.79 | — | — | |
| SCHEMBL6078553 | 0.77 | PDE10A (0.35) | — | |
| SCHEMBL6404185 | 0.76 | HIF1A (0.31) | — | |
| SCHEMBL6979559 | 0.76 | HDAC4 (0.38) | — | |
| SCHEMBL6404687 | 0.76 | MMP2 (0.30) | — | |
| SCHEMBL6404010 | 0.76 | HDAC4 (0.38) | — | |
| SCHEMBL6606605 | 0.75 | HPGD (0.38) | — |
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-20050288376-A1 | Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides | SMITHKLINE BEECHAM PLC | 2005-12-29 | — | — | US | disclosed |
| US-20040024066-A1 | Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-02-05 | — | — | US | disclosed |