⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26608493 | 0.78 | CYP19A1 (0.47) | — | |
| SCHEMBL623156 | 0.73 | CA2 (0.39) | — | |
| SCHEMBL1304450 | 0.71 | — | — | |
| SCHEMBL351012 | 0.71 | — | — | |
| SCHEMBL350177 | 0.71 | — | — | |
| SCHEMBL16961417 | 0.71 | — | — | |
| SCHEMBL3886159 | 0.71 | — | — | |
| SCHEMBL192616 | 0.71 | — | — | |
| SCHEMBL28711321 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL16962460 | 0.67 | ALDH1A1 (0.30) | — |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113603687-A | Novel method for synthesizing cyano-substituted imidazo [1,5-a ] pyridine | 北京工业大学 | 2021-11-05 | — | — | CN | disclosed |
| EP-2900645-B1 | HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2019-08-21 | — | — | EP | disclosed |
| 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 |
| US-9604962-B2 | Fungicidal azocyclic amides | E I DU PONT DE NEMOURS AND COMPANY (US) | 2017-03-28 | — | — | US | disclosed |
| US-9585392-B2 | 3-phenylisoxazolin derivatives with herbicidal action | BAYER CROPSCIENCE AG (DE) | 2017-03-07 | — | — | 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-20150245615-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | BAYER CROPSCIENCE AG (DE) | 2015-09-03 | — | — | US | 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 |
| US-20080146595-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2008-06-19 | — | — | US | disclosed |
| WO-2008013622-A2 | FUNGICIDAL AZOCYCLIC AMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-01-31 | — | — | WO | disclosed |
| WO-2007014290-A2 | FUNGICIDAL CARBOXAMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-02-01 | — | — | WO | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| EP-1115700-A1 | OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES | BAYER AG (DE) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000017157-A1 | OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-03-30 | — | — | WO | disclosed |