⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10360691 | 0.90 | CYP1A2 (0.36) | — | |
| SCHEMBL10360744 | 0.89 | ABCG2 (0.31) | — | |
| SCHEMBL10360764 | 0.87 | — | — | |
| SCHEMBL10360159 | 0.80 | CYP1A2 (0.37) | — | |
| SCHEMBL10362066 | 0.79 | CYP1A2 (0.36) | — | |
| SCHEMBL10360511 | 0.78 | CYP1A2 (0.36) | — | |
| SCHEMBL10794985 | 0.78 | P2RX3 (0.35) | — | |
| SCHEMBL10361376 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL10794841 | 0.77 | CYP1A2 (0.36) | — | |
| SCHEMBL10362175 | 0.76 | KCNH2 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0175377-B1 | AN ETHER COMPOUND, ITS PRODUCTION AND AN INSECTICIDAL AND ACARICIDAL COMPOSITION CONTAINING IT AS AN ACTIVE INGREDIENT | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-11-28 | — | — | EP | disclosed |
| US-4664698-A | Ether compound, and an insecticidal and acaricidal composition containing it as an active ingredient | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1987-05-12 | — | — | US | disclosed |
| EP-0175377-A2 | An ether compound, its production and an insecticidal and acaricidal composition containing it as an active ingredient | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1986-03-26 | — | — | EP | disclosed |