⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1426643 | 0.75 | — | — | |
| SCHEMBL22655794 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL23888107 | 0.72 | — | — | |
| SCHEMBL1425923 | 0.70 | — | — | |
| SCHEMBL5595396 | 0.65 | — | — | |
| SCHEMBL1352530 | 0.64 | — | — | |
| SCHEMBL9367736 | 0.63 | — | — | |
| SCHEMBL16486312 | 0.63 | — | — | |
| SCHEMBL126141 | 0.59 | — | — | |
| SCHEMBL272618 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2763987-B1 | HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE AS FUNGICIDALS | BAYER CROPSCIENCE AG (DE) | 2018-07-18 | — | — | EP | disclosed |
| US-9023844-B2 | Heterocyclylpyri (mi) dinylpyrazole as fungicidals | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-05-05 | — | — | US | disclosed |
| US-20140256677-A1 | HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-09-11 | — | — | US | disclosed |