⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18481884 | 0.77 | ALDH1A1 (0.68) | — | |
| SCHEMBL25915989 | 0.74 | ALDH1A1 (0.57) | — | |
| Tetraisopropyl Pyrophosphoramide SCHEMBL6263949 | 0.71 | ALDH1A1 (1.00) | — | |
| SCHEMBL10902792 | 0.70 | — | — | |
| SCHEMBL13385631 | 0.70 | — | — | |
| SCHEMBL4336527 | 0.69 | — | — | |
| SCHEMBL11080024 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL119253 | 0.67 | ALDH1A1 (0.55) | — | |
| SCHEMBL12582195 | 0.67 | — | — | |
| SCHEMBL22823955 | 0.67 | ALDH1A1 (0.48) | — |
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-2022126275-A1 | RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2022-06-23 | — | — | WO | disclosed |