⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25061770 | 0.86 | F10 (0.33) | — | |
| SCHEMBL25061724 | 0.86 | F10 (0.33) | — | |
| SCHEMBL23644650 | 0.71 | CA1 (0.41) | — | |
| SCHEMBL25061725 | 0.69 | PPOX (0.33) | — | |
| SCHEMBL25061607 | 0.69 | PPOX (0.35) | — | |
| SCHEMBL25061606 | 0.67 | MAPT (0.35) | — | |
| SCHEMBL25061617 | 0.66 | MAPT (0.33) | — | |
| SCHEMBL25061769 | 0.66 | PPOX (0.37) | — | |
| SCHEMBL25061729 | 0.64 | MAPT (0.34) | — | |
| SCHEMBL29438159 | 0.62 | CA1 (0.37) | — |
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-20230053699-A1 | SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) | 2023-02-23 | — | — | US | disclosed |