⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11455374 | 0.71 | — | — | |
| SCHEMBL915046 | 0.64 | — | — | |
| SCHEMBL19471953 | 0.62 | HRH2 (0.31) | — | |
| SCHEMBL19475097 | 0.62 | HRH2 (0.31) | — | |
| Methyl Alcohol SCHEMBL5708596 | 0.60 | CA1 (0.41) | — | |
| SCHEMBL19512239 | 0.60 | — | — | |
| SCHEMBL6743414 | 0.60 | — | — | |
| SCHEMBL3346411 | 0.59 | RARB (0.41) | — | |
| SCHEMBL1053411 | 0.59 | CA1 (0.50) | — | |
| SCHEMBL5278 | 0.58 | — | — |
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-2010063487-A1 | PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2010-06-10 | — | — | WO | disclosed |