⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27365528 | 0.79 | — | — | |
| SCHEMBL6486068 | 0.77 | — | — | |
| SCHEMBL7361720 | 0.77 | — | — | |
| SCHEMBL22095186 | 0.74 | — | — | |
| SCHEMBL6646274 | 0.74 | — | — | |
| SCHEMBL16320434 | 0.73 | — | — | |
| SCHEMBL6594676 | 0.72 | GABRA1 (0.33) | — | |
| SCHEMBL27940757 | 0.71 | HTR2A (0.41) | — | |
| SCHEMBL596255 | 0.70 | — | — | |
| SCHEMBL295682 | 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-1999040882-A2 | STEREOSELECTIVE Tc-99m LIGANDS | TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1999-08-19 | — | — | WO | claimed |