⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9201396 | 0.79 | — | — | |
| SCHEMBL8938708 | 0.77 | — | — | |
| SCHEMBL2877088 | 0.71 | HRH4 (0.38) | — | |
| SCHEMBL28853 | 0.69 | HRH4 (0.41) | — | |
| SCHEMBL9198787 | 0.69 | — | — | |
| SCHEMBL29857 | 0.68 | — | — | |
| SCHEMBL5333184 | 0.68 | — | — | |
| SCHEMBL622620 | 0.66 | — | — | |
| SCHEMBL4170109 | 0.65 | — | — | |
| SCHEMBL6037893 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-62103081-A | — | — | None | — | — | JP | disclosed |
| JP-S62103081-A | DIOXOLANILMETHYLTRIAZONE, AGRICULTURAL AND HORTICULTURAL FUNGICIDE, PLANT GROWTH REGULATOR AND HERBICIDE COMPRISING SAME AS ACTIVE INGREDIENT | MITSUBISHI CHEM IND LTD | 1987-05-13 | — | — | JP | disclosed |
| EP-0060962-B1 | MICROBICIDAL TRIAZOLYL METHYL DIOXOLANES AND THEIR PREPARATION | CIBA-GEIGY AG (CH) | 1985-08-07 | — | — | EP | disclosed |
| EP-0060962-A1 | Microbicidal triazolyl methyl dioxolanes and their preparation | CIBA-GEIGY AG (CH) | 1982-09-29 | — | — | EP | disclosed |