⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9080025 | 0.72 | — | — | |
| SCHEMBL10962770 | 0.72 | — | — | |
| SCHEMBL13466332 | 0.72 | — | — | |
| SCHEMBL15318197 | 0.66 | KDM4E (0.37) | — | |
| SCHEMBL20919925 | 0.65 | DYRK1A (0.46) | — | |
| SCHEMBL18096494 | 0.65 | — | — | |
| SCHEMBL8480586 | 0.65 | DYRK1A (0.52) | — | |
| SCHEMBL22339498 | 0.65 | — | — | |
| SCHEMBL600914 | 0.65 | — | — | |
| SCHEMBL15988685 | 0.64 | PDE4D (0.44) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025202003-A1 | POLYMERISATION INHIBITORS | BASF SE (DE) | 2025-10-02 | — | — | WO | disclosed |
| WO-2024141554-A1 | COMPOUNDS AFFECTING KRAS | UNIVERSITAT DE BARCELONA (ES) | 2024-07-04 | — | — | WO | disclosed |
| WO-2021008607-A1 | SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF | 青岛清原化合物有限公司 | 2021-01-21 | — | — | WO | disclosed |
| EP-2776402-B1 | MELDRUM'S ACID, BARBITURIC ACID AND PYRAZOLONE DERIVATIVES SUBSTITUTED WITH HYDROXYLAMINE AS HNO DONORS | UNIV JOHNS HOPKINS (US) | 2017-07-26 | — | — | EP | disclosed |
| US-20170050947-A1 | MELDRUM'S ACID, BARBITURIC ACID AND PYRAZOLONE DERIVATIVES SUBSTITUTED WITH HYDROXYLAMINE AS HNO DONORS | THE JOHNS HOPKINS UNIVERSITY | 2017-02-23 | — | — | US | disclosed |
| US-9181213-B2 | Meldrum's acid, barbituric acid and pyrazolone derivatives substituted with hydroxylamine as HNO donors | THE JOHNS HOPKINS UNIVERSITY (US) | 2015-11-10 | — | — | US | disclosed |
| EP-2712863-B1 | Novel inhibitors of bacterial biofilms and related methods | SEQUOIA SCIENCES INC (US) | 2014-10-22 | — | — | EP | disclosed |
| US-20140275134-A1 | MELDRUM'S ACID, BARBITURIC ACID AND PYRAZOLONE DERIVATIVES SUBSTITUTED WITH HYDROXYLAMINE AS HNO DONORS | NATIONAL SCIENCE FOUNDATION | 2014-09-18 | — | — | US | disclosed |
| US-20130274256-A1 | NOVEL INHIBITORS OF BACTERIAL BIOFILMS AND RELATED METHODS | SEQUOIA SCIENCES, INC. (US) | 2013-10-17 | — | — | US | disclosed |
| EP-2081925-A1 | BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES | Bayer CropScience AG (DE) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008043456-A1 | BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES | BAYER CROPSCIENCE AG (DE) | 2008-04-17 | — | — | WO | disclosed |
| CN-1046941-C | Herbicidal picolinamide derivatives | SHELL INT RESEARCH (NL) | 1999-12-01 | — | — | CN | disclosed |