⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21424118 | 1.00 | — | — | |
| SCHEMBL21423681 | 1.00 | — | — | |
| SCHEMBL21424128 | 1.00 | — | — | |
| SCHEMBL21423654 | 1.00 | — | — | |
| SCHEMBL24535949 | 0.82 | — | — | |
| SCHEMBL22489424 | 0.82 | — | — | |
| SCHEMBL23054428 | 0.82 | — | — | |
| SCHEMBL22489199 | 0.82 | — | — | |
| SCHEMBL22920450 | 0.81 | — | — | |
| SCHEMBL23054426 | 0.78 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20220185796-A1 | SMALL MOLECULE MODULATORS OF PANK | ST. JUDE CHILDREN'S RESEARCH HOSPITAL | 2022-06-16 | — | — | US | disclosed |
| US-20210246113-A1 | SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES | ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. | 2021-08-12 | — | — | US | disclosed |
| US-20210061788-A1 | SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES | ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. | 2021-03-04 | — | — | US | disclosed |
| US-20210023081-A1 | METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR | ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. | 2021-01-28 | — | — | US | disclosed |
| WO-2020198526-A2 | SMALL MOLECULE MODULATORS OF PANK | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2020-10-01 | — | — | WO | disclosed |
| US-20190300499-A1 | SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2019-10-03 | — | — | US | disclosed |