⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8529085 | 0.67 | — | — | |
| SCHEMBL973342 | 0.60 | CDC25B (0.39) | — | |
| SCHEMBL2585200 | 0.60 | — | — | |
| SCHEMBL8531428 | 0.60 | — | — | |
| SCHEMBL592877 | 0.56 | ALDH1A1 (0.33) | — | |
| SCHEMBL7971210 | 0.56 | CDC25B (0.32) | — | |
| SCHEMBL4981136 | 0.56 | CDC25B (0.42) | — | |
| SCHEMBL591093 | 0.56 | CDC25B (0.48) | — | |
| SCHEMBL8758921 | 0.53 | GSK3A (0.33) | — | |
| SCHEMBL10316302 | 0.53 | GSK3A (0.33) | — |
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-5736523-A | ADMINISTERING TO THE MAMMAL SUFFERING FROM CANCER | BIOCHEM PHARMA INC. (CA) | 1998-04-07 | — | — | US | disclosed |