⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23026128 | 0.88 | — | — | |
| SCHEMBL25676499 | 0.77 | LRRK2 (0.37) | — | |
| SCHEMBL21719203 | 0.75 | PDK2 (0.31) | — | |
| SCHEMBL21719963 | 0.74 | — | — | |
| SCHEMBL25018980 | 0.73 | — | — | |
| SCHEMBL12859195 | 0.73 | KDM4E (0.30) | — | |
| SCHEMBL25019153 | 0.69 | ACHE (0.32) | — | |
| SCHEMBL21856375 | 0.65 | — | — | |
| SCHEMBL21720369 | 0.62 | — | — | |
| SCHEMBL23745201 | 0.62 | — | — |
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-2021032033-A1 | PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | 青岛清原化合物有限公司 | 2021-02-25 | — | — | WO | disclosed |