⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23054421 | 1.00 | — | — | |
| SCHEMBL23750318 | 1.00 | — | — | |
| SCHEMBL24536027 | 1.00 | — | — | |
| SCHEMBL21423897 | 0.89 | — | — | |
| SCHEMBL21424257 | 0.89 | — | — | |
| SCHEMBL21423888 | 0.89 | — | — | |
| SCHEMBL21424120 | 0.89 | — | — | |
| SCHEMBL21423895 | 0.89 | — | — | |
| SCHEMBL21424194 | 0.89 | — | — | |
| SCHEMBL24535938 | 0.85 | DRD4 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022133034-A1 | METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR | ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) | 2022-06-23 | — | — | WO | disclosed |
| WO-2020198526-A2 | SMALL MOLECULE MODULATORS OF PANK | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2020-10-01 | — | — | WO | disclosed |