⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15969104 | 0.76 | — | — | |
| SCHEMBL10665439 | 0.76 | — | — | |
| SCHEMBL13666143 | 0.74 | — | — | |
| SCHEMBL14158086 | 0.73 | — | — | |
| SCHEMBL11376029 | 0.71 | — | — | |
| SCHEMBL10942806 | 0.71 | JUN (0.36) | — | |
| SCHEMBL17185579 | 0.70 | — | — | |
| SCHEMBL11329423 | 0.70 | — | — | |
| SCHEMBL193810 | 0.70 | — | — | |
| SCHEMBL2484822 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112812072-B | Triazole derivative containing deuterium and alkenyl, preparation method and application | 山东师范大学 | 2022-07-22 | — | — | CN | disclosed |
| EP-0185256-B1 | TRIAZOLE DERIVATES, THEIR PREPARATION AND THEIR USE AS PESTICIDES | CIBA-GEIGY AG (CH) | 1991-01-30 | — | — | EP | disclosed |
| US-4788210-A | PESTICIDES | HOFFMANN-LA ROCHE INC. (US) | 1988-11-29 | — | — | US | disclosed |
| EP-0185256-A2 | Triazole derivates, their preparation and their use as pesticides | CIBA-GEIGY AG (CH) | 1986-06-25 | — | — | EP | disclosed |