⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8089336 | 0.77 | LMNA (0.38) | — | |
| SCHEMBL11669067 | 0.76 | — | — | |
| SCHEMBL8625323 | 0.76 | — | — | |
| SCHEMBL2748894 | 0.76 | — | — | |
| SCHEMBL9784711 | 0.75 | POLB (0.31) | — | |
| SCHEMBL7945725 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL52748 | 0.70 | — | — | |
| SCHEMBL7945405 | 0.69 | — | — | |
| SCHEMBL20798300 | 0.67 | — | — | |
| SCHEMBL1885381 | 0.67 | POLB (0.65) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115385862-B | Pyrimidine thioether compound containing sulfonate structure and preparation method and application thereof | 贵州大学 | 2023-03-28 | — | — | CN | disclosed |
| CN-115385862-A | Pyrimidine thioether compound containing sulfonate structure as well as preparation method and application thereof | 贵州大学 | 2022-11-25 | — | — | CN | disclosed |
| WO-2011045271-A1 | HERBICIDALLY ACTIVE, HETEROCYCLYL-SUBSTITUTED PYRIDAZINONES | BAYER CROPSCIENCE AG (DE) | 2011-04-21 | — | — | WO | disclosed |
| US-4753940-A | PARASITICIDE, ANTHELMINTIC | CIBA-GEIGY CORPORATION (US) | 1988-06-28 | — | — | US | disclosed |