⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL423889 | 1.00 | — | — | |
| SCHEMBL27833568 | 1.00 | — | — | |
| SCHEMBL8517761 | 0.85 | — | — | |
| SCHEMBL9705749 | 0.81 | — | — | |
| SCHEMBL9121610 | 0.81 | — | — | |
| SCHEMBL9121616 | 0.81 | — | — | |
| SCHEMBL7636364 | 0.81 | — | — | |
| SCHEMBL950068 | 0.81 | PTGS1 (0.32) | — | |
| SCHEMBL10748442 | 0.77 | — | — | |
| SCHEMBL12879600 | 0.76 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102295650-B | Rotenone oxime allyl / propargyl ether and application of the same as insecticide | UNIV HUNAN | 2013-08-21 | — | — | CN | claimed |
| CN-102295650-B | Rotenone oxime allyl / propargyl ether and application of the same as insecticide | UNIV HUNAN | 2013-08-21 | — | — | CN | disclosed |
| CN-102229573-B | 1-(1,2,4-triazole-1-group)ketoxime ethers and its application in preparation of bactericide | UNIV HUNAN | 2013-03-13 | — | — | CN | disclosed |
| CN-102295650-A | Rotenone oxime allyl / propargyl ether and application of the same as insecticide | — | 2011-12-28 | — | — | CN | disclosed |
| CN-102229573-A | 1-(1,2,4-triazole-1-group)ketoxime ethers and its application in preparation of bactericide | UNIV HUNAN | 2011-11-02 | — | — | CN | disclosed |