⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL103539 | 0.84 | ACHE (0.37) | — | |
| SCHEMBL161106 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL2890568 | 0.74 | PDE2A (0.35) | — | |
| SCHEMBL2580012 | 0.74 | — | — | |
| SCHEMBL3277221 | 0.70 | ALDH1A1 (0.46) | — | |
| SCHEMBL192592 | 0.69 | — | — | |
| SCHEMBL193576 | 0.69 | — | — | |
| SCHEMBL2584446 | 0.69 | NR1H2 (0.32) | — | |
| SCHEMBL160011 | 0.69 | GPR3 (0.35) | — | |
| SCHEMBL6448094 | 0.69 | CES1 (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 28 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 |
| US-9920030-B2 | Fungicidal azocyclic amides | E I DU PONT DE NEMOURS AND COMPANY (US) | 2018-03-20 | — | — | US | 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-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 |
| EP-2121660-B1 | FUNGICIDAL AMIDES | DU PONT (US) | 2014-12-31 | — | — | EP | disclosed |
| US-20140081027-A1 | FUNGICIDAL AZOCYCLIC AMIDES | E I DU PONT DE NEMOURS AND COMPANY (US) | 2014-03-20 | — | — | US | disclosed |
| US-20100292275-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-11-18 | — | — | US | disclosed |
| US-20100286147-A1 | FUNGICIDAL AMIDES | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2010-11-11 | — | — | US | disclosed |
| US-20100240619-A1 | FUNGICIDAL MIXTURES | CORTEVA AGRISCIENCE LLC | 2010-09-23 | — | — | US | disclosed |
| US-20100004288-A1 | FUNGICIDAL AMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-01-07 | — | — | US | disclosed |
| EP-2121660-A2 | FUNGICIDAL AMIDES | E. I. Du Pont de Nemours and Company (US) | 2009-11-25 | — | — | EP | disclosed |
| US-20090156592-A1 | Fungicidal Azocyclic Amides | E.I. DU PONT DE NEMOURS AND COMPANY (DE) | 2009-06-18 | — | — | US | disclosed |
| WO-2008091594-A2 | FUNGICIDAL MIXTURES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-07-31 | — | — | WO | disclosed |
| WO-2008091580-A2 | FUNGICIDAL AMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-07-31 | — | — | WO | disclosed |
| EP-1948649-A2 | FUNGICIDAL CARBOXAMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007014290-A2 | FUNGICIDAL CARBOXAMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-02-01 | — | — | WO | disclosed |