⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25934861 | 0.81 | — | — | |
| SCHEMBL25933792 | 0.76 | — | — | |
| SCHEMBL25933374 | 0.70 | — | — | |
| SCHEMBL18697171 | 0.69 | — | — | |
| SCHEMBL18595407 | 0.69 | — | — | |
| SCHEMBL25931783 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL25934857 | 0.67 | — | — | |
| SCHEMBL21210928 | 0.64 | — | — | |
| SCHEMBL25933788 | 0.62 | — | — | |
| SCHEMBL23189533 | 0.61 | — | — |
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-20230242548-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2023-08-03 | — | — | US | disclosed |