⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7260738 | 0.84 | — | — | |
| SCHEMBL13211627 | 0.76 | — | — | |
| SCHEMBL3723181 | 0.68 | CYP1A2 (0.37) | — | |
| SCHEMBL13039990 | 0.68 | — | — | |
| SCHEMBL12565976 | 0.67 | — | — | |
| SCHEMBL22901877 | 0.63 | PNP (0.45) | — | |
| SCHEMBL6892732 | 0.63 | — | — | |
| SCHEMBL6373595 | 0.60 | TSHR (0.45) | — | |
| SCHEMBL18236948 | 0.60 | GLP1R (0.35) | — | |
| SCHEMBL22609431 | 0.60 | YTHDC1 (0.39) | — |
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-2010139288-A1 | 5,7-DISUBSTITUTED 3-ISOPROPYLPYRAZOLO[4,3-D]PYRIMIDINES FOR USE AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS | C3 BIO GMBH (DE) | 2010-12-09 | — | — | WO | disclosed |