⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22313513 | 0.68 | CCR4 (0.34) | — | |
| SCHEMBL5329734 | 0.67 | CCR4 (0.33) | — | |
| SCHEMBL12894439 | 0.61 | CDK5 (0.40) | — | |
| SCHEMBL20188560 | 0.60 | APLNR (0.38) | — | |
| SCHEMBL28451898 | 0.60 | — | — | |
| SCHEMBL18246543 | 0.60 | APLNR (0.43) | — | |
| SCHEMBL2738305 | 0.59 | APLNR (0.38) | — | |
| SCHEMBL3598108 | 0.59 | ALDH1A1 (0.44) | — | |
| SCHEMBL12545872 | 0.59 | KDM4E (0.42) | — | |
| SCHEMBL179318 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230321092-A1 | METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR | ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. | 2023-10-12 | — | — | US | disclosed |