⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17057810 | 0.87 | SLC2A1 (0.33) | — | |
| SCHEMBL11944548 | 0.85 | MAPT (0.35) | — | |
| SCHEMBL11944476 | 0.81 | SLC2A1 (0.33) | — | |
| SCHEMBL17058103 | 0.81 | CA12 (0.32) | — | |
| SCHEMBL17058024 | 0.80 | SLC2A1 (0.33) | — | |
| SCHEMBL11944433 | 0.79 | POLB (0.33) | — | |
| SCHEMBL11944447 | 0.79 | POLB (0.33) | — | |
| SCHEMBL17058353 | 0.78 | SLC2A1 (0.30) | — | |
| SCHEMBL17057942 | 0.78 | POLB (0.42) | — | |
| SCHEMBL11944526 | 0.78 | MAPT (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 |