⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10089444 | 0.85 | PDE9A (0.31) | — | |
| SCHEMBL17032004 | 0.83 | PDE9A (0.31) | — | |
| SCHEMBL15706630 | 0.81 | — | — | |
| SCHEMBL15706629 | 0.78 | — | — | |
| SCHEMBL13360852 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL14070492 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL13113242 | 0.76 | — | — | |
| SCHEMBL10014829 | 0.75 | — | — | |
| SCHEMBL14384868 | 0.75 | — | — | |
| SCHEMBL10014828 | 0.74 | — | — |
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-2007002540-A2 | RADIOLABELED-PEGYLATION OF LIGANDS FOR USE AS IMAGING AGENTS | KUNG HANK F (US) | 2007-01-04 | — | — | WO | disclosed |