⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL818987 | 0.67 | — | — | |
| SCHEMBL9935822 | 0.63 | — | — | |
| SCHEMBL9934781 | 0.63 | — | — | |
| SCHEMBL9936381 | 0.60 | — | — | |
| SCHEMBL666807 | 0.38 | — | — | |
| SCHEMBL8641934 | 0.34 | — | — | |
| SCHEMBL18883149 | 0.30 | — | — | |
| SCHEMBL13719381 | 0.30 | — | — | |
| SCHEMBL735951 | 0.30 | — | — | |
| SCHEMBL10579853 | 0.30 | — | — |
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-20050010047-A1 | Pteridinone derivatives as modulators of chemokine receptor activity | BONNERT ROGER VICTOR (GB) | 2005-01-13 | — | — | US | disclosed |