⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6607137 | 0.93 | MMP2 (0.32) | — | |
| SCHEMBL6607132 | 0.93 | MMP2 (0.32) | — | |
| SCHEMBL6400568 | 0.82 | — | — | |
| SCHEMBL6608144 | 0.82 | — | — | |
| SCHEMBL6608153 | 0.82 | — | — | |
| SCHEMBL6606735 | 0.81 | NPC1 (0.40) | — | |
| SCHEMBL6606729 | 0.81 | NPC1 (0.40) | — | |
| SCHEMBL6401244 | 0.78 | — | — | |
| SCHEMBL6398102 | 0.76 | CTNNB1 (0.35) | — | |
| SCHEMBL6397626 | 0.72 | CHEK1 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040024066-A1 | Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-02-05 | — | — | US | disclosed |