⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7680321 | 1.00 | — | — | |
| SCHEMBL7093146 | 0.85 | — | — | |
| SCHEMBL6979192 | 0.85 | — | — | |
| SCHEMBL6769887 | 0.80 | MGLL (0.33) | — | |
| SCHEMBL6763805 | 0.80 | MGLL (0.33) | — | |
| SCHEMBL6763809 | 0.80 | MGLL (0.33) | — | |
| SCHEMBL7684832 | 0.78 | NISCH (0.37) | — | |
| SCHEMBL26250552 | 0.74 | — | — | |
| SCHEMBL8503437 | 0.72 | — | — | |
| SCHEMBL16378821 | 0.68 | KMT2A (0.35) | — |
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-6462039-B1 | SUCH AS O-(2-((5,6-DIHYDRO-(1,4,2)DIOXAZIN-3-YL)-METHOXY-IMINOMETHYL)-BENZYL)1-(1 -METHYL-1H-INDAZOL-3-YL)ETHANONEOXIME; WELL TOLERATED BY PLANTS; CONTROLLING PLANT DISEASES BY TREATMENT OF AERIAL PARTS, SEEDS OR SOIL | BAYER AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |