⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11976402 | 0.78 | — | — | |
| SCHEMBL6822071 | 0.70 | EGFR (0.46) | — | |
| SCHEMBL11976405 | 0.69 | — | — | |
| SCHEMBL11976403 | 0.68 | — | — | |
| SCHEMBL11976406 | 0.68 | — | — | |
| SCHEMBL11976400 | 0.68 | — | — | |
| SCHEMBL28291166 | 0.65 | BRD4 (0.50) | — | |
| SCHEMBL4568142 | 0.63 | PTGER1 (0.46) | — | |
| SCHEMBL24499968 | 0.62 | CHEK1 (0.73) | — | |
| SCHEMBL21816255 | 0.62 | KDM4E (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 |
|---|---|---|---|---|---|---|---|
| WO-2012102297-A1 | PYRAZOLOPYRIDINE DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF | 杏林製薬株式会社 (JP) | 2012-08-02 | — | — | WO | disclosed |