⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24121007 | 0.82 | POLB (0.35) | — | |
| SCHEMBL1104444 | 0.77 | GAA (0.42) | — | |
| SCHEMBL12251533 | 0.77 | CA1 (0.43) | — | |
| SCHEMBL4416229 | 0.76 | ESR1 (0.34) | — | |
| SCHEMBL1104450 | 0.75 | CA1 (0.48) | — | |
| SCHEMBL12251551 | 0.73 | L3MBTL1 (0.42) | — | |
| SCHEMBL5197 | 0.72 | LMNA (0.42) | — | |
| SCHEMBL12139803 | 0.71 | KDM4E (0.46) | — | |
| SCHEMBL12251566 | 0.71 | CA12 (0.54) | — | |
| SCHEMBL12251556 | 0.71 | LMNA (0.40) | — |
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-8163735-B2 | Sulfonamide compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-20090233909-A1 | Sulfonamide compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2009-09-17 | — | — | US | disclosed |