⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9426747 | 0.90 | CTSL (0.34) | — | |
| SCHEMBL9425492 | 0.85 | — | — | |
| SCHEMBL487051 | 0.84 | — | — | |
| SCHEMBL9426143 | 0.81 | SMN1; SMN2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL11684723 | 0.81 | SLC1A3 (0.30) | — | |
| SCHEMBL28428008 | 0.81 | — | — | |
| SCHEMBL4619 | 0.80 | — | — | |
| SCHEMBL246935 | 0.80 | — | — | |
| SCHEMBL21481657 | 0.80 | — | — | |
| SCHEMBL7231300 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5286725-A | Pyridazinones endowed with acaricide and insecticide action | MINISTERO DELL'UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECHNOLOGICA (IT) | 1994-02-15 | — | — | US | disclosed |
| EP-0476573-A1 | 2-tButyl-4-chloro-5-(4-ibutylmethylcyclohexyl)-methylthio-3(H)-pyridazinone having acaricidal and insecticidal activity | MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) | 1992-03-25 | — | — | EP | disclosed |