⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7371544 | 0.69 | — | — | |
| SCHEMBL2791665 | 0.67 | — | — | |
| SCHEMBL2399458 | 0.63 | — | — | |
| SCHEMBL1863657 | 0.63 | — | — | |
| SCHEMBL2794472 | 0.63 | — | — | |
| SCHEMBL11868696 | 0.61 | ALDH1A1 (0.36) | — | |
| SCHEMBL2391382 | 0.61 | — | — | |
| SCHEMBL1866200 | 0.59 | — | — | |
| SCHEMBL1866198 | 0.59 | — | — | |
| SCHEMBL11264081 | 0.59 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0062236-B1 | USE OF TRIAZOLE DERIVATIVES FOR COMBATING FUNGI | BASF Aktiengesellschaft (DE) | 1991-09-04 | — | — | EP | disclosed |
| EP-0200149-B1 | 1,3-DIOXAN-5-YL ALKYL TRIAZOLES, THEIR PREPARATION, THEIR USE AS PLANT GROWTH REGULATORS AND COMPOSITIONS THEREFOR | BASF Aktiengesellschaft (DE) | 1989-12-06 | — | — | EP | disclosed |
| EP-0200149-A2 | 1,3-Dioxan-5-yl alkyl triazoles, their preparation, their use as plant growth regulators and compositions therefor | BASF Aktiengesellschaft (DE) | 1986-11-05 | — | — | EP | disclosed |
| EP-0043923-B1 | 1,3-DIOXAN-5-YL-ALKENYL TRIAZOLES, THEIR PREPARATION AND THEIR USE AS PLANT GROWTH REGULATORS | BASF Aktiengesellschaft (DE) | 1985-02-13 | — | — | EP | disclosed |
| EP-0044407-B1 | 1,3-DIOXAN-5-YL-ALKYL TRIAZOLES, THEIR PREPARATION AND THEIR USE AS PLANT GROWTH REGULATORS | BASF Aktiengesellschaft (DE) | 1984-06-20 | — | — | EP | disclosed |
| EP-0062236-A2 | Use of triazole derivatives for combating fungi | BASF Aktiengesellschaft (DE) | 1982-10-13 | — | — | EP | disclosed |
| 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 | disclosed |
| EP-0043923-A2 | 1,3-Dioxan-5-yl-alkenyl triazoles, their preparation and their use as plant growth regulators | BASF Aktiengesellschaft (DE) | 1982-01-20 | — | — | EP | disclosed |