⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14212502 | 0.90 | — | — | |
| SCHEMBL2741216 | 0.79 | CHRM1 (0.31) | — | |
| SCHEMBL13170210 | 0.76 | CHRM1 (0.35) | — | |
| SCHEMBL13190639 | 0.76 | — | — | |
| SCHEMBL2741146 | 0.74 | LMNA (0.40) | — | |
| SCHEMBL14212501 | 0.74 | — | — | |
| SCHEMBL13170207 | 0.73 | CHRM1 (0.30) | — | |
| SCHEMBL19524924 | 0.73 | CHRM1 (0.30) | — | |
| SCHEMBL19976500 | 0.71 | — | — | |
| SCHEMBL18754443 | 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3239137-B1 | (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION | DU PONT (US) | 2019-02-13 | — | — | EP | disclosed |
| EP-3239145-A1 | 1-[2-[3,5-SUBSTITUTED-1H-PYRAZOL-1-YL]ACETYL]-4-PIPERIDINE-CARBONITRILE AND -CARBOTHIAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF FUNGICIDES FOR CROP PROTECTION | E. I. du Pont de Nemours and Company (US) | 2017-11-01 | — | — | EP | disclosed |
| EP-3239137-A1 | (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION | E. I. du Pont de Nemours and Company (US) | 2017-11-01 | — | — | EP | disclosed |
| EP-2712616-B1 | Intermediates for the preparation of 1-(acetyl)-piperidine and 1-(acetyl)-piperazine derivatives as fungicides for use in plant protection | DU PONT (US) | 2017-04-19 | — | — | EP | disclosed |
| US-9604962-B2 | Fungicidal azocyclic amides | E I DU PONT DE NEMOURS AND COMPANY (US) | 2017-03-28 | — | — | US | disclosed |
| US-9604962-B2 | Fungicidal azocyclic amides | E I DU PONT DE NEMOURS AND COMPANY (US) | 2017-03-28 | — | — | US | disclosed |
| US-20150291556-A1 | FUNGICIDAL AZOCYCLIC AMIDES | CORTEVA AGRISCIENCE LLC | 2015-10-15 | — | — | US | disclosed |
| US-20150291556-A1 | FUNGICIDAL AZOCYCLIC AMIDES | CORTEVA AGRISCIENCE LLC | 2015-10-15 | — | — | US | disclosed |
| US-20150291578-A1 | FUNGICIDAL AZOCYCLIC AMIDES | CORTEVA AGRISCIENCE LLC | 2015-10-15 | — | — | US | disclosed |
| US-9090604-B2 | Fungicidal azocyclic amides | E I DU PONT DE NEMOURS AND COMPANY (US) | 2015-07-28 | — | — | US | disclosed |
| US-8449898-B2 | Fungicidal mixtures | E I DU PONT DE NEMOURS AND COMPANY (US) | 2013-05-28 | — | — | US | disclosed |
| EP-2402332-A2 | Fungicidal heterocyclic compounds | E.I. Du Pont De Nemours And Company (US) | 2012-01-04 | — | — | EP | disclosed |
| US-20110224258-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (DE) | 2011-09-15 | — | — | US | disclosed |
| US-20110224258-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (DE) | 2011-09-15 | — | — | US | disclosed |
| WO-2011085170-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-07-14 | — | — | WO | disclosed |
| WO-2010065579-A2 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-06-10 | — | — | WO | disclosed |
| WO-2009094445-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-07-30 | — | — | WO | disclosed |
| WO-2009055514-A2 | FUNGICIDAL MIXTURES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-04-30 | — | — | WO | disclosed |
| WO-2008013925-A2 | FUNGICIDAL AZOCYCLIC AMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-01-31 | — | — | WO | disclosed |
| WO-2008013622-A2 | FUNGICIDAL AZOCYCLIC AMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-01-31 | — | — | WO | disclosed |