⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5482101 | 0.75 | PNP (0.31) | — | |
| SCHEMBL16477780 | 0.65 | ADORA2A (0.32) | — | |
| SCHEMBL6436395 | 0.61 | MAP2K7 (0.39) | — | |
| SCHEMBL5481549 | 0.59 | KDM4E (0.51) | — | |
| SCHEMBL524228 | 0.59 | — | — | |
| SCHEMBL31727983 | 0.58 | PNP (0.42) | — | |
| SCHEMBL20206755 | 0.58 | POLB (0.32) | — | |
| SCHEMBL13811523 | 0.57 | — | — | |
| SCHEMBL8212090 | 0.57 | PNP (0.41) | — | |
| SCHEMBL8201950 | 0.57 | XDH (0.46) | — |
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-20070142352-A1 | Pteridinone Derivatives as Modulators of Chemokine Receptor Activity | ASTRAZENECA AB (SE) | 2007-06-21 | — | — | US | disclosed |