⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6296477 | 0.84 | — | — | |
| SCHEMBL6298239 | 0.83 | BACE1 (0.31) | — | |
| SCHEMBL6302748 | 0.80 | BACE1 (0.32) | — | |
| SCHEMBL6303038 | 0.80 | BACE1 (0.33) | — | |
| SCHEMBL6296347 | 0.79 | BACE1 (0.41) | — | |
| SCHEMBL6303742 | 0.77 | BACE1 (0.33) | — | |
| SCHEMBL6298403 | 0.74 | — | — | |
| SCHEMBL6296303 | 0.74 | BACE1 (0.33) | — | |
| SCHEMBL6298401 | 0.74 | — | — | |
| SCHEMBL6296407 | 0.73 | LTB4R (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| EP-1112269-A2 | HIV PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2001-07-04 | — | — | EP | claimed |
| WO-2000015634-A2 | HIV PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2000-03-23 | — | — | WO | claimed |
| 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 |
| EP-1112269-A2 | HIV PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000015634-A2 | HIV PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2000-03-23 | — | — | WO | disclosed |