⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4735559 | 0.97 | — | — | |
| SCHEMBL28515880 | 0.97 | MEN1 (0.69) | — | |
| Tetraethylene Glycol SCHEMBL324028 | 0.84 | MEN1 (0.92) | — | |
| Tetraethylene Glycol SCHEMBL379094 | 0.84 | MEN1 (0.92) | — | |
| Triethylene Glycol SCHEMBL43068 | 0.84 | MEN1 (0.92) | — | |
| Triethylene Glycol SCHEMBL197304 | 0.84 | MEN1 (0.92) | — | |
| Triethylene Glycol SCHEMBL11552982 | 0.84 | MEN1 (0.92) | — | |
| Triethylene Glycol SCHEMBL28268117 | 0.81 | MEN1 (0.85) | — | |
| SCHEMBL4092706 | 0.80 | MEN1 (1.00) | — | |
| SCHEMBL12865309 | 0.80 | MEN1 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104412963-A | Agricultural auxiliary agent, granules and preparation method of agricultural auxiliary agent and granules | ZHEJIANG WYNCA CHEMICAL INDUSTRY GROUP CO LTD | 2015-03-18 | — | — | CN | disclosed |