⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7141092 | 0.85 | WRN (0.33) | — | |
| SCHEMBL6295877 | 0.82 | GLI1 (0.34) | — | |
| SCHEMBL6295721 | 0.81 | PPIB (0.32) | — | |
| SCHEMBL6296998 | 0.79 | DRD2 (0.35) | — | |
| SCHEMBL6301730 | 0.77 | TRPM8 (0.42) | — | |
| SCHEMBL6295927 | 0.77 | ESR1 (0.36) | — | |
| SCHEMBL7078899 | 0.77 | WRN (0.34) | — | |
| SCHEMBL6297393 | 0.77 | OPRD1 (0.32) | — | |
| SCHEMBL6302159 | 0.77 | KDM4E (0.36) | — | |
| SCHEMBL7077453 | 0.75 | ESR1 (0.33) | — |
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-20030171425-A1 | HIV protease inhibitors | BOYER FREDERICK EARL (US) | 2003-09-11 | — | — | US | claimed |
| US-6927217-B2 | HIV protease inhibitors | WARNER-LAMBERT COMPANY (US) | 2005-08-09 | — | — | US | disclosed |
| US-20030171425-A1 | HIV protease inhibitors | BOYER FREDERICK EARL (US) | 2003-09-11 | — | — | US | disclosed |
| US-6512006-B1 | Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties | WARNER-LAMBERT COMPANY | 2003-01-28 | — | — | US | disclosed |