⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL789026 | 0.80 | PIM1 (0.31) | — | |
| SCHEMBL789075 | 0.80 | PIM1 (0.31) | — | |
| SCHEMBL18355384 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL819487 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL818770 | 0.75 | — | — | |
| SCHEMBL789549 | 0.73 | — | — | |
| SCHEMBL16544851 | 0.71 | — | — | |
| SCHEMBL12395648 | 0.70 | CLK2 (0.32) | — | |
| SCHEMBL12395806 | 0.70 | — | — | |
| SCHEMBL12932864 | 0.70 | CLK2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230041563-A1 | N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF | QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) | 2023-02-09 | — | — | US | disclosed |