⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21680914 | 0.81 | NOS3 (0.31) | — | |
| SCHEMBL22694237 | 0.57 | NOS3 (0.31) | — | |
| SCHEMBL31601876 | 0.56 | — | — | |
| SCHEMBL22818505 | 0.56 | NOS3 (0.31) | — | |
| SCHEMBL2179725 | 0.54 | — | — | |
| SCHEMBL15359623 | 0.54 | — | — | |
| SCHEMBL19524999 | 0.54 | — | — | |
| SCHEMBL21450779 | 0.52 | NOS3 (0.31) | — | |
| SCHEMBL18120037 | 0.47 | — | — | |
| SCHEMBL18077682 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3613743-A1 | PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES | Intellikine, LLC (US) | 2020-02-26 | — | — | EP | disclosed |