⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1913893 | 0.69 | — | — | |
| SCHEMBL11633170 | 0.68 | — | — | |
| SCHEMBL17103597 | 0.51 | — | — | |
| SCHEMBL3934678 | 0.49 | — | — | |
| SCHEMBL9795348 | 0.49 | — | — | |
| SCHEMBL3630395 | 0.49 | — | — | |
| SCHEMBL4310344 | 0.49 | — | — | |
| SCHEMBL22245644 | 0.45 | — | — | |
| SCHEMBL1002118 | 0.44 | ATM (0.37) | — | |
| SCHEMBL21801 | 0.42 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3277674-A1 | TRIAZOL DERIVATIVES AS FUNGICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2018-02-07 | — | — | EP | disclosed |
| WO-2016156294-A1 | TRIAZOL DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-10-06 | — | — | WO | disclosed |
| EP-1694689-B1 | MONOCYCLOPENTADIENYL COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2009-03-11 | — | — | EP | disclosed |
| EP-1972623-A1 | Arylpyridazines as fungicides | Bayer CropScience AG (DE) | 2008-09-24 | — | — | EP | disclosed |