⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17058559 | 0.82 | POLB (0.33) | — | |
| SCHEMBL17057972 | 0.81 | POLB (0.33) | — | |
| SCHEMBL17058268 | 0.79 | — | — | |
| SCHEMBL17058018 | 0.79 | — | — | |
| SCHEMBL17058289 | 0.78 | NPBWR1 (0.34) | — | |
| SCHEMBL17058529 | 0.78 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL17057853 | 0.78 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL17058032 | 0.77 | — | — | |
| SCHEMBL17057873 | 0.77 | UTRN (0.32) | — | |
| SCHEMBL17058218 | 0.77 | ALDH1A1 (0.31) | — |
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-2137179-B1 | PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS | MERCK SHARP & DOHME (US) | 2015-09-02 | — | — | EP | disclosed |