⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10489438 | 0.77 | — | — | |
| SCHEMBL457710 | 0.77 | GABRA1 (0.34) | — | |
| SCHEMBL17707241 | 0.68 | — | — | |
| SCHEMBL147747 | 0.67 | — | — | |
| SCHEMBL20486964 | 0.64 | PNMT (0.41) | — | |
| SCHEMBL20487629 | 0.64 | LOXL2 (0.31) | — | |
| SCHEMBL9732647 | 0.64 | — | — | |
| SCHEMBL8610656 | 0.64 | — | — | |
| SCHEMBL17423650 | 0.64 | — | — | |
| SCHEMBL456135 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104277004-B | Prepare method and its intermediate of pyridazinone compound | 住友化学株式会社 | 2016-08-24 | — | — | CN | disclosed |