⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11945983 | 0.86 | POLB (0.32) | — | |
| SCHEMBL17058242 | 0.85 | HTR1A (0.32) | — | |
| SCHEMBL17058211 | 0.85 | SLC2A1 (0.30) | — | |
| SCHEMBL11946294 | 0.84 | MAPT (0.34) | — | |
| SCHEMBL17058237 | 0.81 | SLC2A1 (0.33) | — | |
| SCHEMBL17057873 | 0.81 | UTRN (0.32) | — | |
| SCHEMBL17058519 | 0.81 | SLC2A1 (0.32) | — | |
| SCHEMBL17058586 | 0.80 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL17058268 | 0.80 | — | — | |
| SCHEMBL17058018 | 0.80 | — | — |
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 |