⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2405453 | 1.00 | — | — | |
| SCHEMBL4458592 | 1.00 | — | — | |
| SCHEMBL1367536 | 0.92 | — | — | |
| SCHEMBL15184925 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL28852943 | 0.89 | — | — | |
| SCHEMBL30277117 | 0.78 | — | — | |
| SCHEMBL26170815 | 0.71 | GAA (0.35) | — | |
| SCHEMBL254419 | 0.69 | — | — | |
| SCHEMBL9501843 | 0.69 | — | — | |
| SCHEMBL292798 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE43802-E1 | α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE LLC (US) | 2012-11-13 | — | — | US | disclosed |
| US-RE43596-E1 | α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE LLC (US) | 2012-08-21 | — | — | US | disclosed |
| US-7829564-B2 | α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE LLC (US) | 2010-11-09 | — | — | US | disclosed |
| US-20090023664-A1 | ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE LLC (US) | 2009-01-22 | — | — | US | disclosed |