⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19763310 | 0.81 | HIF1A (0.36) | — | |
| SCHEMBL336591 | 0.81 | HIF1A (0.36) | — | |
| SCHEMBL15929427 | 0.78 | — | — | |
| SCHEMBL25161936 | 0.75 | — | — | |
| SCHEMBL15929424 | 0.73 | GRIN2D (0.33) | — | |
| SCHEMBL15929702 | 0.70 | — | — | |
| SCHEMBL19102235 | 0.65 | — | — | |
| SCHEMBL18124124 | 0.63 | — | — | |
| SCHEMBL22236840 | 0.63 | — | — | |
| SCHEMBL15929428 | 0.61 | GRIN2D (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10646598-B2 | Cage-like bifunctional chelators, copper-64 radiopharmaceuticals and PET imaging using the same | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2020-05-12 | — | — | US | disclosed |
| US-20170189567-A1 | Cage-Like Bifunctional Chelators, Copper-64 Radiopharmaceuticals and PET Imaging Using the Same | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2017-07-06 | — | — | US | disclosed |