⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11460346 | 0.82 | KDM4E (0.33) | — | |
| SCHEMBL13141001 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL2937447 | 0.79 | AGXT (0.36) | — | |
| SCHEMBL11044717 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL256090 | 0.75 | — | — | |
| SCHEMBL6600532 | 0.74 | DUT (0.30) | — | |
| SCHEMBL9435912 | 0.73 | — | — | |
| SCHEMBL12844533 | 0.73 | — | — | |
| SCHEMBL1005836 | 0.73 | — | — | |
| SCHEMBL1509606 | 0.73 | — | — |
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-2019149260-A1 | PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | 青岛清原化合物有限公司 | 2019-08-08 | — | — | WO | disclosed |