⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2728918 | 0.84 | CYP2A6 (0.47) | — | |
| SCHEMBL29318041 | 0.78 | — | — | |
| SCHEMBL7669052 | 0.78 | — | — | |
| SCHEMBL22566659 | 0.78 | — | — | |
| SCHEMBL17302922 | 0.78 | — | — | |
| SCHEMBL25273562 | 0.78 | — | — | |
| SCHEMBL31052355 | 0.78 | — | — | |
| SCHEMBL10263371 | 0.78 | — | — | |
| SCHEMBL16942780 | 0.75 | PTGS2 (0.42) | — | |
| SCHEMBL23280475 | 0.75 | CYP11B1 (0.46) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118525020-A | Compound with CLK and DYRK inhibiting activity, preparation method and application thereof | 赛诺哈勃药业（成都）有限公司 | 2024-08-20 | — | — | CN | disclosed |
| WO-2023103898-A1 | COMPOUND HAVING CLK AND DYRK INHIBITORY ACTIVITIES, PREPARATION METHOD THEREFOR AND USE THEREOF | 赛诺哈勃药业（成都）有限公司 | 2023-06-15 | — | — | WO | disclosed |
| WO-2023103898-A1 | COMPOUND HAVING CLK AND DYRK INHIBITORY ACTIVITIES, PREPARATION METHOD THEREFOR AND USE THEREOF | 赛诺哈勃药业（成都）有限公司 | 2023-06-15 | — | — | WO | disclosed |
| US-20200331910-A1 | Mammalian and Bacterial Nitric Oxide Synthase Inhibitors | UNIV NORTHWESTERN (US) | 2020-10-22 | — | — | US | disclosed |
| CN-106008418-A | Method for synthesizing 5-aminomethyl-2-furfuryl alcohol | 厦门大学 | 2016-10-12 | — | — | CN | disclosed |
| CN-101472904-B | Diazepan derivatives modulators of chemokine receptors | HOFFMANN LA ROCHE | 2012-06-06 | — | — | CN | disclosed |
| EP-2010506-B1 | DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | HOFFMANN LA ROCHE (CH) | 2010-08-04 | — | — | EP | disclosed |
| US-7632829-B2 | Diazepan derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-12-15 | — | — | US | disclosed |
| CN-101472904-A | Diazepan derivatives modulators of chemokine receptors | HOFFMANN LA ROCHE (CH) | 2009-07-01 | — | — | CN | disclosed |
| EP-2010506-A1 | DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-Roche AG (CH) | 2009-01-07 | — | — | EP | disclosed |
| US-7342116-B2 | Process for producing heterocyclic aldehyde | KOEI CHEMICAL CO., LTD. (JP) | 2008-03-11 | — | — | US | disclosed |
| WO-2007122103-A1 | DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-11-01 | — | — | WO | disclosed |
| US-20070249589-A1 | Novel diazepan derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2007-10-25 | — | — | US | disclosed |
| US-20050124807-A1 | oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound | KOEI CHEMICAL CO., LTD. (JP) | 2005-06-09 | — | — | US | disclosed |