⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10641706 | 0.85 | SLC7A5 (0.43) | — | |
| SCHEMBL6636083 | 0.81 | — | — | |
| SCHEMBL2617107 | 0.78 | — | — | |
| SCHEMBL5522530 | 0.78 | — | — | |
| SCHEMBL14508101 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL8777147 | 0.76 | SLC7A5 (0.61) | — | |
| Hydrochloric Acid SCHEMBL9238645 | 0.76 | SLC7A5 (0.61) | — | |
| Hydrochloric Acid SCHEMBL8777148 | 0.76 | SLC7A5 (0.61) | — | |
| SCHEMBL24213302 | 0.76 | NOS2 (0.33) | — | |
| SCHEMBL12462685 | 0.76 | — | — |
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-20210338851-A1 | RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2021-11-04 | — | — | US | disclosed |