⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1879279 | 0.78 | CYP2C19 (0.35) | — | |
| SCHEMBL775170 | 0.72 | TRIM24 (0.32) | — | |
| SCHEMBL9700492 | 0.65 | EGLN1 (0.33) | — | |
| SCHEMBL190832 | 0.62 | TLR4 (0.34) | — | |
| SCHEMBL3974963 | 0.61 | KMT2A (0.36) | — | |
| SCHEMBL11378401 | 0.60 | AKR1C4 (0.39) | — | |
| SCHEMBL10396183 | 0.59 | GRM8 (0.32) | — | |
| SCHEMBL3662797 | 0.58 | KDM4E (0.35) | — | |
| SCHEMBL7830998 | 0.57 | — | — | |
| SCHEMBL22612515 | 0.57 | KMT2A (0.50) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7320983-B2 | α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE LLC (US) | 2008-01-22 | — | — | US | disclosed |
| US-20070078173-A1 | Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 2007-04-05 | — | — | US | disclosed |
| US-7141609-B2 | α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 2006-11-28 | — | — | US | disclosed |
| US-20050267171-A1 | Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 2005-12-01 | — | — | US | disclosed |
| US-6683648-B2 | ENZYME INHIBITORS SUCH AS 2S-(((DIMETHYLAMINO)ACETYL)AMINO)-N-(3-((((2-HYDROXY-1,1 -DIMETHYLETHYL)AMINO)SULFONYL)(3-METHYL BUTYL)AMINO)-2R-HYDROXY-1S-(PHENYLMETHYL)-PROPYL)-3,3-DIMETHYL BUTANAMIDE, USED FOR PROHYLAXIS OF VIRAL DISEASES | G. D. SEARLE & CO. | 2004-01-27 | — | — | US | disclosed |
| US-6335460-B1 | TREATING RETROVIRAL INFECTIONS, INCLUDING HUMAN IMMUNODEFICIENCY VIRUS, AND AIDS | G.D. SEARLE & CO. | 2002-01-01 | — | — | US | disclosed |
| US-6248775-B1 | α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G. D. SEARLE & CO. | 2001-06-19 | — | — | US | disclosed |
| US-6172082-B1 | TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS | G. D. SEARLE & CO. | 2001-01-09 | — | — | US | disclosed |