⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17058510 | 0.92 | SLC2A1 (0.32) | — | |
| SCHEMBL17058467 | 0.91 | NPSR1 (0.33) | — | |
| SCHEMBL17058576 | 0.90 | ABL1 (0.34) | — | |
| SCHEMBL17058543 | 0.89 | — | — | |
| SCHEMBL17058575 | 0.89 | SLC2A1 (0.30) | — | |
| SCHEMBL17058025 | 0.89 | SLC2A1 (0.31) | — | |
| SCHEMBL17058205 | 0.89 | SLC2A1 (0.34) | — | |
| SCHEMBL17058432 | 0.88 | MCHR1 (0.38) | — | |
| SCHEMBL17058248 | 0.88 | SLC2A1 (0.31) | — | |
| SCHEMBL11945956 | 0.86 | POLB (0.34) | — |
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 |