⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL999460 | 0.68 | — | — | |
| SCHEMBL14813863 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL29078103 | 0.54 | — | — | |
| SCHEMBL1412044 | 0.51 | — | — | |
| Hydrochloric Acid SCHEMBL8942220 | 0.49 | — | — | |
| Water SCHEMBL5156556 | 0.49 | — | — | |
| Bromide SCHEMBL11751081 | 0.49 | — | — | |
| Hydrochloric Acid SCHEMBL28412591 | 0.49 | — | — | |
| SCHEMBL14693137 | 0.46 | — | — | |
| SCHEMBL4562815 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022160637-A1 | 3-ARYL-6-ARALKYL-1,4,5,6-TETRAHYDROPYRIDAZINE COMPOUND AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 苏州大学 | 2022-08-04 | — | — | WO | disclosed |