⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23054423 | 1.00 | — | — | |
| SCHEMBL21423721 | 1.00 | — | — | |
| SCHEMBL24536418 | 1.00 | — | — | |
| SCHEMBL23750317 | 0.85 | — | — | |
| SCHEMBL24536450 | 0.82 | — | — | |
| SCHEMBL22920432 | 0.79 | GBA1 (0.35) | — | |
| SCHEMBL21424190 | 0.79 | GBA1 (0.35) | — | |
| SCHEMBL21424123 | 0.79 | GBA1 (0.35) | — | |
| SCHEMBL23054500 | 0.79 | GBA1 (0.35) | — | |
| SCHEMBL22920502 | 0.79 | GBA1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-20190300499-A1 | SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2019-10-03 | — | — | US | disclosed |