⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18570662 | 0.82 | — | — | |
| SCHEMBL18272496 | 0.78 | — | — | |
| SCHEMBL12592980 | 0.78 | — | — | |
| SCHEMBL14145209 | 0.78 | — | — | |
| SCHEMBL20938017 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL23914168 | 0.74 | — | — | |
| SCHEMBL14199650 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL13666049 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL20852677 | 0.74 | — | — | |
| SCHEMBL13956972 | 0.74 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3892618-A1 | 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) | 2021-10-13 | — | — | EP | disclosed |
| WO-2017050714-A1 | PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2017-03-30 | — | — | WO | disclosed |
| EP-3135668-A1 | NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND | Mitsubishi Tanabe Pharma Corporation (JP) | 2017-03-01 | — | — | EP | disclosed |
| WO-2016023826-A1 | QUINAZOLINE-2,4(1H,3H)-DIONE DERIVATIVES AS TRCP5 MODULATORS FOR THE TREATMENT OF NEUROPSYCHIATRY DISORDERS | HYDRA BIOSCIENCES, INC. (US) | 2016-02-18 | — | — | WO | disclosed |
| WO-2014209727-A1 | SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2014-12-31 | — | — | WO | disclosed |
| WO-2012081665-A1 | SUBSTANCE CAPABLE OF INHIBITING GLYCINE TRANSPORTER | 大正製薬株式会社 (JP) | 2012-06-21 | — | — | WO | disclosed |
| EP-2208727-A1 | Diaryl ethers as opioid receptor antagonist | Eli Lilly & Company (US) | 2010-07-21 | — | — | EP | disclosed |