⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL969161 | 0.78 | — | — | |
| SCHEMBL126899 | 0.70 | — | — | |
| SCHEMBL23036829 | 0.69 | DGAT1 (0.32) | — | |
| SCHEMBL188973 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL35399 | 0.69 | — | — | |
| SCHEMBL123712 | 0.67 | HDAC1 (0.52) | — | |
| SCHEMBL23036843 | 0.66 | HPGD (0.45) | — | |
| SCHEMBL23036848 | 0.66 | CA9 (0.41) | — | |
| SCHEMBL23213100 | 0.65 | HDAC4 (0.38) | — | |
| SCHEMBL1361305 | 0.64 | — | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240115566-A1 | METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR | ST JUDE CHILDRENS RES HOSPITAL INC (US) | 2024-04-11 | — | — | US | disclosed |
| EP-4262814-A1 | METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR | St. Jude Children's Research Hospital, Inc. (US) | 2023-10-25 | — | — | EP | disclosed |
| US-20230321092-A1 | METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR | ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. | 2023-10-12 | — | — | US | disclosed |
| US-11547709-B2 | Methods of treating disorders associated with castor | ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) | 2023-01-10 | — | — | US | disclosed |
| WO-2022133034-A1 | METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR | ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) | 2022-06-23 | — | — | WO | disclosed |
| US-20210246113-A1 | SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES | ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. | 2021-08-12 | — | — | US | disclosed |
| CN-109561680-B | Small molecule modulators of pantothenate kinase | 圣朱德儿童研究医院 | 2021-07-13 | — | — | CN | disclosed |
| US-20210023081-A1 | METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR | ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. | 2021-01-28 | — | — | US | disclosed |
| US-10899734-B2 | Small molecule modulators of pantothenate kinases | ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) | 2021-01-26 | — | — | US | disclosed |
| EP-3731859-A1 | METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR | St. Jude Children's Research Hospital, Inc. (US) | 2020-11-04 | — | — | EP | disclosed |
| EP-1149091-B1 | 4-(HETEROCYCLYLSULFONAMIDO)-5-METHOXY-6-(2-METHOXYPHENOXY)-2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2008-03-19 | — | — | EP | disclosed |
| EP-1185525-B1 | 4-HETEROCYCLYLSULFONAMIDYL-6-METHOXY-5-(2-METHOXY-PHENOXY)-2-PYRIDYL-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ENDOTHELIN RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2007-02-07 | — | — | EP | disclosed |
| US-6521631-B2 | N-(6-methoxy-5-(2-methoxy-phenoxy)-2-pyridin-4-yl-pyrimidin-4 -yl)) 5-isopropyl-pyridine-2-sulfonamide; treatment of disorders which are associated with abnormal vascular tone and endothelial dysfunction. | HOFFMANN-LA ROCHE INC. | 2003-02-18 | — | — | US | disclosed |
| US-20020137933-A1 | Heterocyclic sulfonamides | BREU VOLKER (DE) | 2002-09-26 | — | — | US | disclosed |
| US-6417360-B1 | ENDOTHELIN RECEPTOR INHIBITORS; CARDIOVASCULAR DISORDERS, HEART FAILURE | HOFFMANN-LA ROCHE INC. | 2002-07-09 | — | — | US | disclosed |
| EP-1185525-A1 | 4-HETEROCYCLYLSULFONAMIDYL-6-METHOXY-5-(2-METHOXY-PHENOXY)-2-PYRIDYL-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ENDOTHELIN RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-13 | — | — | EP | disclosed |
| EP-1149091-A1 | 4-(HETEROCYCLYLSULFONAMIDO)-5-METHOXY-6-(2-METHOXYPHENOXY)-2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-31 | — | — | EP | disclosed |
| US-6242601-B1 | ENDOTHELIN RECEPTORS INHIBITORS SUCH AS 4-(4-METHOXY-5-(2-METHOXY-PHENOXY)-6-(5-METHYL-PYRIDINE-2-SULF ONYLAMINO)-PYRIMIDIN-2-YL)-PYRIDINE-2-CARBOXYLIC ACID USED TO TREAT CARDIOVASCULAR SYSTEM DISORDERS | HOFFMAN-LA ROCHE INC. | 2001-06-05 | — | — | US | disclosed |
| WO-2000052007-A1 | 4-HETEROCYCLYSULFONAMIDYL-6-METHOXY-5-(2-METHOXY-PHENOXY)-2-PYRIDYL-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ENDOTHELIN RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-09-08 | — | — | WO | disclosed |
| WO-2000042035-A1 | 4-(HETEROCYCLYLSULFONAMIDO) -5-METHOXY-6- (2-METHOXYPHENOXY) -2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-07-20 | — | — | WO | disclosed |