⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29712345 | 1.00 | — | — | |
| SCHEMBL2224366 | 0.84 | CCR1 (0.39) | — | |
| SCHEMBL502628 | 0.77 | — | — | |
| SCHEMBL29674429 | 0.75 | — | — | |
| SCHEMBL508034 | 0.75 | — | — | |
| SCHEMBL458230 | 0.75 | — | — | |
| SCHEMBL30014977 | 0.75 | — | — | |
| SCHEMBL507699 | 0.75 | — | — | |
| SCHEMBL6345966 | 0.75 | — | — | |
| SCHEMBL933680 | 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12421240-B2 | Hydropyrazino[1,2-d][1,4]diazepine compounds for the treatment of autoimmune disease | HOFFMANN-LA ROCHE INC. (US) | 2025-09-23 | — | — | US | disclosed |
| US-20250248975-A1 | MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF | SCHRODINGER, LLC | 2025-08-07 | — | — | US | disclosed |
| CN-114599652-B | Hydropyrazino [1,2-d ] [1,4] diazepine compounds for the treatment of autoimmune diseases | 豪夫迈·罗氏有限公司 | 2024-07-12 | — | — | CN | disclosed |
| WO-2024054851-A1 | MACROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USING THEREOF | SIONNA THERAPEUTICS (US) | 2024-03-14 | — | — | WO | disclosed |
| US-20230034723-A1 | HYDROPYRAZINO[1,2-D][1,4]DIAZEPINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | HOFFMANN-LA ROCHE INC. (US) | 2023-02-02 | — | — | US | disclosed |
| CN-114599652-A | Hydropyrazino [1,2-d ] [1,4] diazepin compounds for the treatment of autoimmune diseases | 豪夫迈·罗氏有限公司 | 2022-06-07 | — | — | CN | disclosed |
| WO-2021084022-A1 | HYDROPYRAZINO[1,2-D][1,4]DIAZEPINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2021-05-06 | — | — | WO | disclosed |
| US-9796701-B2 | Kinase inhibitor and use thereof | Xuanzhu Pharma Co., Ltd. (CN) | 2017-10-24 | — | — | US | disclosed |
| US-9796701-B2 | Kinase inhibitor and use thereof | Xuanzhu Pharma Co., Ltd. (CN) | 2017-10-24 | — | — | US | disclosed |
| US-20160332989-A1 | Kinase Inhibitor And Use Thereof | Xuanzhu Biopharmaceutical Co., Ltd. (CN) | 2016-11-17 | — | — | US | disclosed |
| US-8138350-B2 | N′-cyano-N-halogenalkylimidamide derivatives | BAYER CROPSCIENCE AG (DE) | 2012-03-20 | — | — | US | disclosed |
| CN-101516848-B | N'-cyano-N-alkyl halide imide amide derivatives | BAYER CROPSCIENCE AG | 2011-09-28 | — | — | CN | disclosed |
| US-7951951-B2 | Bicyclic enamino(thio)carbonyl compounds | BAYER CROPSCIENCE AG (DE) | 2011-05-31 | — | — | US | disclosed |
| US-20100048646-A1 | N'-Cyano-N-Halogenalkylimidamide Derivatives | BAYER CROPSCIENCE AG (DE) | 2010-02-25 | — | — | US | disclosed |
| CN-101516848-A | N'-cyano-N-alkyl halide imide amide derivatives | BAYER CROPSCIENCE AG (DE) | 2009-08-26 | — | — | CN | disclosed |
| US-20090181947-A1 | BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS | BAYER CROPSCIENCE AG (DE) | 2009-07-16 | — | — | US | disclosed |
| EP-2049488-A2 | N'-CYANO-N-ALKYL HALIDE IMIDE AMIDE DERIVATIVES | Bayer CropScience AG (DE) | 2009-04-22 | — | — | EP | disclosed |
| EP-2021344-A1 | BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS | Bayer CropScience AG (DE) | 2009-02-11 | — | — | EP | disclosed |
| WO-2008009360-A2 | N'-CYANO-N-ALKYL HALIDE IMIDE AMIDE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2008-01-24 | — | — | WO | disclosed |
| WO-2007115647-A1 | BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS | BAYER CROPSCIENCE AG (DE) | 2007-10-18 | — | — | WO | disclosed |