⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2622485 | 1.00 | — | — | |
| SCHEMBL18681702 | 0.87 | — | — | |
| SCHEMBL23314573 | 0.83 | — | — | |
| SCHEMBL17282613 | 0.83 | — | — | |
| SCHEMBL2632247 | 0.80 | MAPT (0.41) | — | |
| SCHEMBL18681039 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL17282881 | 0.79 | KDM4E (0.37) | — | |
| SCHEMBL2998692 | 0.79 | ALDH1A1 (0.41) | — | |
| Cis-Urocanic Acid SCHEMBL1311341 | 0.78 | KDM4E (0.43) | — | |
| Cis-Urocanic Acid SCHEMBL15418 | 0.78 | KDM4E (0.43) | — |
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-20050075390-A1 | HIV protease inhibitors | AGOURON PHARMACEUTICALS, INC. | 2005-04-07 | — | — | US | disclosed |
| US-6852711-B2 | Novel dihydropyrones with tethered heterocycles having improved pharmacologic properties which potently inhibit the HIV aspartyl protease blocking HIV infectivity. The dihydropyrones are useful in the development of therapies for | AGOURON PHARMACEUTICALS, INC. (US) | 2005-02-08 | — | — | US | disclosed |
| US-20040106606-A1 | HIV protease inhibitors | BOYER FREDERICK EARL (US) | 2004-06-03 | — | — | US | disclosed |
| US-6528510-B1 | Dihydropyrones with tethered heterocycles; 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6 -isopropyl-6-(2-pyridin-4-yl-ethyl)-5,6-dihydro-pyran - 2-one; | WARNER-LAMBERT COMPANY | 2003-03-04 | — | — | US | disclosed |