⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17706105 | 0.79 | — | — | |
| SCHEMBL1299791 | 0.79 | — | — | |
| SCHEMBL70598 | 0.73 | SMN1; SMN2 (0.62) | — | |
| SCHEMBL162194 | 0.73 | — | — | |
| SCHEMBL162193 | 0.73 | — | — | |
| SCHEMBL299630 | 0.73 | POLB (0.50) | — | |
| SCHEMBL29190948 | 0.73 | SMN1; SMN2 (0.65) | — | |
| SCHEMBL13175902 | 0.72 | NOTUM (0.54) | — | |
| SCHEMBL13625658 | 0.72 | DAO (0.54) | — | |
| SCHEMBL1149419 | 0.72 | DAO (0.71) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107635995-A | BICYCLIC COMPOUNDS AS ATX INHIBITORS | 豪夫迈·罗氏有限公司 | 2018-01-26 | — | — | CN | claimed |
| CN-107614505-A | New bicyclo compound as dual ATX/CA inhibitor | 豪夫迈·罗氏有限公司 | 2018-01-19 | — | — | CN | claimed |
| CN-116606283-A | Rumbrin compounds with anti-HIV activity | 中国医学科学院药物研究所 | 2023-08-18 | — | — | CN | disclosed |
| CN-110003188-B | Substituted pyrrole formate derivative and application thereof | 成都麻沸散医药科技有限公司 | 2022-08-26 | — | — | CN | disclosed |
| CN-107635995-A | BICYCLIC COMPOUNDS AS ATX INHIBITORS | 豪夫迈·罗氏有限公司 | 2018-01-26 | — | — | CN | disclosed |
| CN-107614505-A | New bicyclo compound as dual ATX/CA inhibitor | 豪夫迈·罗氏有限公司 | 2018-01-19 | — | — | CN | disclosed |
| EP-2089386-B1 | OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMACEUTICALS SA (CH) | 2012-08-08 | — | — | EP | disclosed |
| CN-101218234-B | Phenyl-3-{(3-(1H-pyrrol-2-yl)-[1,2,4]oxadiazol-5-yl]piperidin-1-yl}-methanone derivatives and related compounds as positive allosteric modulators of metabotropic glutamate receptors | ADDEX PHARMA S.A. (CH) | 2011-12-14 | — | — | CN | disclosed |
| EP-1912979-B1 | PHENYL-{3-(3-(1H-PYRROL-2-YL)-[1,2,4]OXADIAZOL-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMACEUTICALS SA (CH) | 2011-06-22 | — | — | EP | disclosed |
| US-20100081690-A1 | OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMA SA (CH) | 2010-04-01 | — | — | US | disclosed |
| CN-101558065-A | Oxazole derivatives as positive allosteric modulators of metabotropic glutamate receptors | ADDEX PHARMACEUTICALS SA (CH) | 2009-10-14 | — | — | CN | disclosed |
| EP-2089386-A2 | OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX Pharma S.A. (CH) | 2009-08-19 | — | — | EP | disclosed |
| US-20090203737-A1 | Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors | ADDEX PHARMA SA (CH) | 2009-08-13 | — | — | US | disclosed |
| CN-101218234-A | Phenyl-3-{(3-(1H-pyrrol-2-yl)-[1,2,4]oxadiazol-5-yl]piperidin-1-yl}-methanone derivatives and related compounds as positive allosteric modulators of metabotropic glutamate receptors | ADDEX PHARMACEUTICALS SA (CH) | 2008-07-09 | — | — | CN | disclosed |
| WO-2008056259-A2 | OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMA S.A. (CH) | 2008-05-15 | — | — | WO | disclosed |
| EP-1912979-A2 | PHENYL-3-{(3-(1H-PYRROL-2-YL)-[1,2,4]OXADIAZOL-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX Pharma S.A. (CH) | 2008-04-23 | — | — | EP | disclosed |
| WO-2006123257-A2 | PHENYL-3-{(3-(1H-PYRROL-2-YL)-[1, 2 , 4]0XADIAZ0L-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMA SA (CH) | 2006-11-23 | — | — | WO | disclosed |