⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1047155 | 0.77 | — | — | |
| SCHEMBL6251728 | 0.69 | — | — | |
| SCHEMBL1665817 | 0.69 | — | — | |
| SCHEMBL18754820 | 0.69 | GRIK1 (0.31) | — | |
| SCHEMBL23878223 | 0.67 | — | — | |
| SCHEMBL274479 | 0.67 | — | — | |
| SCHEMBL2058389 | 0.67 | — | — | |
| SCHEMBL21620810 | 0.67 | — | — | |
| SCHEMBL11209223 | 0.67 | — | — | |
| SCHEMBL8327572 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5482947-A | ENZYME INHIBITORS FOR HIV PROTEASE INHIBITION FROM UREA OR THIOUREA COMPOUNDS | TALLEY JOHN J (US) | 1996-01-09 | — | — | US | claimed |
| US-7026333-B1 | Retroviral protease inhibitors | G. D. SEARLE & CO. (US) | 2006-04-11 | — | — | US | disclosed |
| US-20060040974-A1 | Retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 2006-02-23 | — | — | US | disclosed |
| US-6538006-B1 | N-heterocyclic moiety-containing hydroxyethylamine protease inhibitor compounds, methods for making the compounds, and intermediates useful in the method. Also, a method for inhibiting retroviral proteases and for treatment of | PHARMACIA CORPORATION | 2003-03-25 | — | — | US | disclosed |
| EP-1095022-A1 | RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 2001-05-02 | — | — | EP | disclosed |
| WO-2000002862-A1 | RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 2000-01-20 | — | — | WO | disclosed |