⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22856108 | 0.78 | — | — | |
| SCHEMBL839966 | 0.69 | — | — | |
| SCHEMBL22033767 | 0.69 | — | — | |
| SCHEMBL22073895 | 0.67 | — | — | |
| SCHEMBL11914954 | 0.64 | — | — | |
| SCHEMBL9963151 | 0.63 | — | — | |
| SCHEMBL6267876 | 0.63 | MEN1 (0.32) | — | |
| SCHEMBL15803259 | 0.63 | CYP2D6 (0.32) | — | |
| SCHEMBL9682854 | 0.63 | — | — | |
| SCHEMBL1102010 | 0.63 | — | — |
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 1 patent. 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 |