⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL288790 | 0.96 | ALDH1A1 (0.32) | — | |
| SCHEMBL7775536 | 0.96 | ALDH1A1 (0.32) | — | |
| SCHEMBL601895 | 0.92 | — | — | |
| SCHEMBL8356448 | 0.69 | — | — | |
| SCHEMBL13728611 | 0.69 | — | — | |
| SCHEMBL28087155 | 0.69 | — | — | |
| SCHEMBL5281396 | 0.69 | — | — | |
| SCHEMBL3656726 | 0.69 | — | — | |
| SCHEMBL13728558 | 0.68 | — | — | |
| SCHEMBL4888673 | 0.68 | — | — |
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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230382910-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED | 2023-11-30 | — | — | US | claimed |
| WO-2023205778-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-26 | — | — | WO | claimed |
| EP-4168409-A1 | VMAT2 INHIBITORS AND METHODS OF USE | Neurocrine Biosciences, Inc. (US) | 2023-04-26 | — | — | EP | claimed |
| WO-2021062557-A1 | CANNABINOID DERIVATIVES | CANOPY GROWTH CORPORATION (CA) | 2021-04-08 | — | — | WO | claimed |
| WO-2021062559-A1 | CANNABINOID DERIVATIVES | CANOPY GROWTH CORPORATION (CA) | 2021-04-08 | — | — | WO | claimed |
| US-20190053492-A1 | SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2019-02-21 | — | — | US | claimed |
| EP-3429997-A1 | N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS | Bayer CropScience Aktiengesellschaft (DE) | 2019-01-23 | — | — | EP | claimed |
| EP-3284739-A1 | SUBSTITUTED (HET) ARYL COMPOUNDS AS PESTICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2018-02-21 | — | — | EP | claimed |
| WO-2017157885-A1 | N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-09-21 | — | — | WO | claimed |
| US-20100298387-A1 | IL-8 Receptor Antagonists | SMITHKLINE BEECHAM CORPORATION | 2010-11-25 | — | — | US | claimed |
| EP-2099300-A1 | IL-8 RECEPTOR ANTAGONISTS | SmithKline Beecham Corporation (US) | 2009-09-16 | — | — | EP | claimed |
| WO-2008070707-A1 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-06-12 | — | — | WO | claimed |
| CN-118215662-A | Modulators of CCR6 receptors | 爱杜西亚药品有限公司 | 2024-06-18 | — | — | CN | disclosed |
| US-20240010647-A1 | SUBSTITUTED PYRIDO[2,1-a]ISOQUINOLINES AS VMAT2 INHIBITORS | NEUROCRINE BIOSCIENCES, INC. | 2024-01-11 | — | — | US | disclosed |
| US-20230382910-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED | 2023-11-30 | — | — | US | disclosed |
| WO-2023205778-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-26 | — | — | WO | disclosed |
| US-5153322-A | Chemical intermediates for surfactants, lubricants, coatings, hydraulic fluids, water and oil repellents | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0314380-B1 | PERFLUORO(CYCLOALIPHATIC METHYLENEOXYALKYLENE)CARBONYL FLUORIDES AND DERIVATIVES THEREOF | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1992-08-26 | — | — | EP | disclosed |
| US-4889656-A | SURFACTANTS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1989-12-26 | — | — | US | disclosed |
| EP-0314380-A1 | Perfluoro(cycloaliphatic methyleneoxyalkylene)carbonyl fluorides and derivatives thereof | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1989-05-03 | — | — | EP | disclosed |