⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1466227 | 0.58 | — | — | |
| SCHEMBL7995970 | 0.58 | — | — | |
| SCHEMBL7085358 | 0.56 | — | — | |
| SCHEMBL12733947 | 0.56 | — | — | |
| SCHEMBL11312405 | 0.53 | — | — | |
| SCHEMBL352774 | 0.53 | — | — | |
| SCHEMBL2117455 | 0.52 | KMT2A (0.32) | — | |
| SCHEMBL11459500 | 0.50 | — | — | |
| SCHEMBL4842709 | 0.48 | — | — | |
| SCHEMBL7405800 | 0.46 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105622597-A | Chloroisothiazole neonicotine compound, as well as preparation method and application thereof | UNIV NANKAI | 2016-06-01 | — | — | CN | claimed |
| CN-111518022-A | Aromatic (hetero) cyclic ether compound with insecticidal activity and preparation method and application thereof | 华东理工大学 | 2020-08-11 | — | — | CN | disclosed |
| WO-2020156512-A1 | AROMATIC (HETERO)CYCLIC ETHER COMPOUND HAVING INSECTICIDAL ACTIVITY, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 华东理工大学 | 2020-08-06 | — | — | WO | disclosed |
| CN-105622597-A | Chloroisothiazole neonicotine compound, as well as preparation method and application thereof | UNIV NANKAI | 2016-06-01 | — | — | CN | disclosed |