⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30387211 | 0.77 | — | — | |
| SCHEMBL9358096 | 0.73 | — | — | |
| SCHEMBL153615 | 0.73 | — | — | |
| SCHEMBL13427495 | 0.73 | — | — | |
| SCHEMBL8593737 | 0.73 | — | — | |
| Water SCHEMBL27543897 | 0.71 | — | — | |
| SCHEMBL12152755 | 0.71 | — | — | |
| SCHEMBL27890647 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL22055 | 0.71 | — | — | |
| SCHEMBL6014663 | 0.69 | — | — |
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-2021149818-A1 | COMBINATION AND PHARMACEUTICAL COMPOSITION FOR TREATING CANCER | 国立大学法人東京農工大学 | 2021-07-29 | — | — | WO | disclosed |