⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14747568 | 0.85 | ALDH1A1 (0.39) | — | |
| SCHEMBL27351876 | 0.79 | HDAC1 (0.43) | — | |
| SCHEMBL27925422 | 0.78 | — | — | |
| Butane SCHEMBL5751985 | 0.77 | LCK (0.46) | — | |
| SCHEMBL11486305 | 0.76 | — | — | |
| SCHEMBL27643784 | 0.75 | LCK (0.47) | — | |
| Acetic Acid SCHEMBL28009021 | 0.75 | HDAC1 (0.40) | — | |
| SCHEMBL6263238 | 0.74 | — | — | |
| SCHEMBL4892463 | 0.73 | — | — | |
| SCHEMBL5746457 | 0.72 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106008222-B | The preparation method and product of the halogenated -3- oxo-pentanoic acids of 4- (4- nitrobenzenes) methyl esters | 江西富祥药业股份有限公司 | 2018-10-30 | — | — | CN | disclosed |
| CN-104254525-B | aromatic ring compound | TAKEDA PHARMACEUTICAL CO.,LTD. (JP) | 2016-05-25 | — | — | CN | disclosed |
| CN-102391260-B | 3-ketone-6-substituted-benzofuran compound and preparation method and application thereof | UNIV SHANGHAI JIAOTONG | 2014-12-10 | — | — | CN | disclosed |
| CN-103588763-A | 2-substituted-3-arylketone-6-(5-methyl-2-phenyl-4-ehtyoxyloxazole)benzofuran compound | UNIV SHANGHAI JIAOTONG | 2014-02-19 | — | — | CN | disclosed |
| CN-101959882-B | Imidazole carbonyl compound | DAIICHI SANKYO CO LTD | 2013-09-11 | — | — | CN | disclosed |
| US-20080207685-A1 | Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar | ELI LILLY AND COMPANY (US) | 2008-08-28 | — | — | US | disclosed |
| US-20080167310-A1 | MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) | GOSSETT LYNN STACY | 2008-07-10 | — | — | US | disclosed |
| US-7282501-B2 | Modulators of peroxisome proliferator activated receptors (PPAR) | ELI LILLY AND COMPANY (US) | 2007-10-16 | — | — | US | disclosed |
| EP-1401434-B1 | MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) | LILLY CO ELI (US) | 2006-11-15 | — | — | EP | disclosed |
| EP-1687299-A1 | HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREAMTMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR | ELI LILLY AND COMPANY (US) | 2006-08-09 | — | — | EP | disclosed |
| WO-2005051945-A1 | HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREATMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR | ELI LILLY AND COMPANY (US) | 2005-06-09 | — | — | WO | disclosed |
| US-20050075378-A1 | Modulators of peroxisome proliferator activated receptors (ppar) | ELI LILLY AND COMPANY | 2005-04-07 | — | — | US | disclosed |
| EP-1401434-A1 | MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) | ELI LILLY AND COMPANY (US) | 2004-03-31 | — | — | EP | disclosed |
| WO-2002100403-A1 | MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) | ELI LILLY AND COMPANY (US) | 2002-12-19 | — | — | WO | disclosed |