⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7800087 | 0.88 | — | — | |
| SCHEMBL1863657 | 0.77 | — | — | |
| SCHEMBL9781317 | 0.69 | — | — | |
| SCHEMBL598108 | 0.65 | — | — | |
| SCHEMBL7371544 | 0.65 | — | — | |
| SCHEMBL2069474 | 0.63 | — | — | |
| SCHEMBL1866198 | 0.61 | — | — | |
| SCHEMBL1866200 | 0.61 | — | — | |
| SCHEMBL3243356 | 0.61 | — | — | |
| SCHEMBL596991 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0044407-A2 | 1,3-Dioxan-5-yl-alkyl triazoles, their preparation and their use as plant growth regulators | BASF Aktiengesellschaft (DE) | 1982-01-27 | — | — | EP | claimed |