⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12133555 | 0.60 | — | — | |
| SCHEMBL14072023 | 0.49 | — | — | |
| SCHEMBL7260943 | 0.49 | — | — | |
| SCHEMBL13660100 | 0.49 | — | — | |
| SCHEMBL19312259 | 0.48 | — | — | |
| SCHEMBL22892883 | 0.47 | — | — | |
| SCHEMBL21529411 | 0.47 | — | — | |
| SCHEMBL21302958 | 0.47 | — | — | |
| SCHEMBL29078835 | 0.46 | — | — | |
| SCHEMBL17546258 | 0.45 | — | — |
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-2017210678-A1 | PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME | An2H Discovery Limited (IE) | 2017-12-07 | — | — | WO | disclosed |