⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3411104 | 0.74 | — | — | |
| SCHEMBL10594430 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL10507186 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL9525563 | 0.68 | — | — | |
| SCHEMBL9796700 | 0.66 | — | — | |
| SCHEMBL8470328 | 0.65 | POLB (0.37) | — | |
| SCHEMBL9727935 | 0.65 | — | — | |
| SCHEMBL9422728 | 0.65 | — | — | |
| SCHEMBL23221378 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL2414458 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0094564-B1 | AZOLYL-METHYL OXIRANES, THEIR PREPARATION AND USE AS MEDICAMENTS AND PLANT PROTECTING AGENTS | BASF Aktiengesellschaft (DE) | 1987-09-30 | — | — | EP | claimed |
| US-20110294855-A1 | Active Compound Combinations | BAYER CROPSCIENCE AG (DE) | 2011-12-01 | — | — | US | disclosed |
| WO-1996036635-A1 | OXIRANYL-TRIAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-11-21 | — | — | WO | disclosed |
| WO-1996036634-A1 | OXIRANYL-HYDROXYETHYL TRIAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-11-21 | — | — | WO | disclosed |
| EP-0431450-A2 | 1-Bromo-3-chloro-1,2-diaryle-2-propanols, process for the stereoselective preparation of erythro-1-bromo-3-chloro-1,2-diaryle-2-propanols and their conversion into azolyle methyloxiranes | BASF Aktiengesellschaft (DE) | 1991-06-12 | — | — | EP | disclosed |
| EP-0315861-A1 | Antimycotic compositions of a nikkomycin compound and an antimycotic azole | BAYER AG (DE) | 1989-05-17 | — | — | EP | disclosed |
| US-4464381-A | Fungicides containing azolylmethyloxiranes | BASF AKTIENGESELLSCHAFT (DE) | 1984-08-07 | — | — | US | disclosed |