⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31072282 | 1.00 | CPT2 (0.42) | — | |
| SCHEMBL42068 | 1.00 | — | — | |
| SCHEMBL106774 | 1.00 | — | — | |
| Potassium SCHEMBL30764116 | 0.97 | CPT2 (0.41) | — | |
| Water SCHEMBL20510492 | 0.97 | CPT2 (0.41) | — | |
| SCHEMBL29278797 | 0.97 | CPT2 (0.41) | — | |
| SCHEMBL28479015 | 0.97 | CPT2 (0.41) | — | |
| SCHEMBL20658939 | 0.97 | CPT2 (0.41) | — | |
| SCHEMBL30764085 | 0.97 | CPT2 (0.41) | — | |
| Lactic Acid SCHEMBL21571370 | 0.92 | TP53 (0.58) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3103868-A1 | ENHANCED PYRUVATE TO ACETOLACTATE CONVERSION IN YEAST | Butamax(TM) Advanced Biofuels LLC (US) | 2016-12-14 | — | — | EP | disclosed |
| US-20100063104-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF | ONO PHARMACEUTICAL CO., LTD., (JP) | 2010-03-11 | — | — | US | disclosed |
| US-20090042888-A1 | Prostaglandin endoperoxide H synthase biosynthesis inhibitors | BLACK LAWRENCE A | 2009-02-12 | — | — | US | disclosed |
| EP-1932840-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-06-18 | — | — | EP | disclosed |
| US-7115591-B2 | Pyridazinone compounds as cyclooxygenase [COX] 2 inhibitorsfor gastrointestinal disorders | ABBOTT LABORATORIES (US) | 2006-10-03 | — | — | US | disclosed |
| US-7001895-B2 | Prostaglandin endoperoxide H synthase biosynthesis inhibitors | ABBOTT LABORATORIES (US) | 2006-02-21 | — | — | US | disclosed |
| US-20040158064-A1 | Prostaglandin endoperoxide H synthase biosynthesis inhibitors | BLACK LAWRENCE A (US) | 2004-08-12 | — | — | US | disclosed |
| US-20030225276-A1 | Prostaglandin endoperoxide H synthase biosynthesis inhibitors | BLACK LAWRENCE A (US) | 2003-12-04 | — | — | US | disclosed |
| US-20020028938-A1 | Prostaglandin endoperoxide H synthase biosynthesis inhibitors | BLACK LAWRENCE A (US) | 2002-03-07 | — | — | US | disclosed |
| US-20020013318-A1 | Prostaglandin endoperoxide H synthase biosynthesis inhibitors | BLACK LAWRENCE A (US) | 2002-01-31 | — | — | US | disclosed |
| EP-1124804-A1 | PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS | ABBOTT LABORATORIES (US) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000024719-A1 | PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS | ABBOTT LABORATORIES (US) | 2000-05-04 | — | — | WO | disclosed |
| US-4691032-A | DIMETHYL- AND TETRAMETHYL-1,3-DIOXOLANE-4-CARBOXALDEHYDES | HOFFMANN-LA ROCHE INC. (US) | 1987-09-01 | — | — | US | disclosed |
| US-4568491-A | FOR VITAMIN D3 SYNTHESIS | HOFFMANN-LA ROCHE INC. (US) | 1986-02-04 | — | — | US | disclosed |