⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20570769 | 0.81 | — | — | |
| SCHEMBL3824853 | 0.79 | CHRNA4 (0.38) | — | |
| SCHEMBL249355 | 0.77 | — | — | |
| SCHEMBL17725298 | 0.76 | ACACB (0.43) | — | |
| SCHEMBL5199877 | 0.74 | POLB (0.53) | — | |
| SCHEMBL22361539 | 0.73 | — | — | |
| SCHEMBL16027956 | 0.72 | — | — | |
| SCHEMBL2625480 | 0.72 | CHRNA4 (0.39) | — | |
| SCHEMBL888662 | 0.72 | CHRNA4 (0.39) | — | |
| SCHEMBL16830101 | 0.72 | CHRNA4 (0.39) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210317132-A1 | COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2021-10-14 | — | — | US | disclosed |
| WO-2018108156-A1 | ROCK INHIBITOR AND APPLICATION THEREOF | 成都先导药物开发有限公司 | 2018-06-21 | — | — | WO | disclosed |
| US-RE43802-E1 | α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE LLC (US) | 2012-11-13 | — | — | US | disclosed |
| US-RE43596-E1 | α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE LLC (US) | 2012-08-21 | — | — | US | disclosed |
| US-8188132-B2 | Linked dibenzimidazole derivatives | ENANTA PHARMACEUTICALS, INC. (US) | 2012-05-29 | — | — | US | disclosed |
| US-20110142798-A1 | HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. | 2011-06-16 | — | — | US | disclosed |
| US-20100226883-A1 | LINKED DIIMIDAZOLE DERIVATIVES | ENANTA PHARMACEUTICALS, INC. | 2010-09-09 | — | — | US | disclosed |
| US-20100221214-A1 | LINKED DIBENZIMIDAZOLE DERIVATIVES | ENANTA PHARMACEUTICALS, INC. | 2010-09-02 | — | — | US | disclosed |
| US-7531538-B2 | α- and β-Amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE LLC (US) | 2009-05-12 | — | — | US | disclosed |
| 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 |