⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL208336 | 0.85 | — | — | |
| SCHEMBL28774166 | 0.82 | — | — | |
| SCHEMBL26622081 | 0.79 | — | — | |
| SCHEMBL2032189 | 0.78 | — | — | |
| SCHEMBL29256263 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL20513010 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL26622183 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL23303 | 0.74 | — | — | |
| SCHEMBL2386541 | 0.74 | — | — | |
| SCHEMBL2388650 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023210623-A1 | HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME | 株式会社エス・ディー・エス バイオテック | 2023-11-02 | — | — | WO | disclosed |
| US-10760033-B2 | Process of forming 2-(4-isobutyl-2-methylphenyl) propanal | GIVAUDAN SA (CH) | 2020-09-01 | — | — | US | disclosed |
| EP-3089956-B1 | PROCESS | GIVAUDAN SA (CH) | 2019-08-07 | — | — | EP | disclosed |
| US-20180282662-A1 | Process | GIVAUDAN S.A. (CH) | 2018-10-04 | — | — | US | disclosed |
| EP-3089956-A1 | PROCESS | Givaudan S.A. (CH) | 2016-11-09 | — | — | EP | disclosed |
| WO-2016075257-A1 | PROCESS | GIVAUDAN SA (CH) | 2016-05-19 | — | — | WO | disclosed |
| US-8017611-B2 | Pyridine and pyrazine derivatives -083 | ASTRAZENECA AB (SE) | 2011-09-13 | — | — | US | disclosed |
| EP-2215085-B1 | PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS | ASTRAZENECA AB (SE) | 2011-09-07 | — | — | EP | disclosed |
| EP-2215085-A2 | PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS | AstraZeneca AB (SE) | 2010-08-11 | — | — | EP | disclosed |
| US-20090118305-A1 | PYRIDINE AND PYRAZINE DERIVATIVES - 083 | ASTRAZENECA AB (SE) | 2009-05-07 | — | — | US | disclosed |
| WO-2009053737-A2 | PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | WO | disclosed |