⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4067490 | 0.78 | — | — | |
| SCHEMBL123787 | 0.76 | — | — | |
| SCHEMBL933420 | 0.76 | — | — | |
| SCHEMBL6439589 | 0.76 | — | — | |
| SCHEMBL23924574 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL270873 | 0.73 | — | — | |
| SCHEMBL13424248 | 0.72 | — | — | |
| SCHEMBL26316559 | 0.72 | — | — | |
| SCHEMBL8704920 | 0.72 | ACE2 (0.46) | — | |
| SCHEMBL83545 | 0.71 | — | — |
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 11 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 | claimed |
| US-9023844-B2 | Heterocyclylpyri (mi) dinylpyrazole as fungicidals | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-05-05 | — | — | US | claimed |
| US-20140256677-A1 | HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-09-11 | — | — | US | claimed |
| EP-2763987-A1 | HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS | Bayer Intellectual Property GmbH (DE) | 2014-08-13 | — | — | EP | claimed |
| WO-2013050437-A1 | HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-04-11 | — | — | WO | claimed |
| 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 |
| EP-2763987-A1 | HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS | Bayer Intellectual Property GmbH (DE) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013050437-A1 | HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-04-11 | — | — | WO | disclosed |
| EP-1209147-A1 | CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | TORAY INDUSTRIES, INC. (JP) | 2002-05-29 | — | — | EP | disclosed |