⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10357572 | 0.97 | ALDH1A1 (0.37) | — | |
| SCHEMBL10358156 | 0.97 | ALDH1A1 (0.37) | — | |
| SCHEMBL384605 | 0.97 | — | — | |
| SCHEMBL8812842 | 0.97 | ALDH1A1 (0.37) | — | |
| SCHEMBL28206446 | 0.97 | ALDH1A1 (0.37) | — | |
| SCHEMBL11145464 | 0.97 | ALDH1A1 (0.37) | — | |
| SCHEMBL4539948 | 0.94 | TSHR (0.35) | — | |
| SCHEMBL1283751 | 0.93 | — | — | |
| SCHEMBL197756 | 0.85 | — | — | |
| SCHEMBL17024326 | 0.71 | DHODH (0.41) | — |
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 564 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024114814-A1 | JAK INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS | ONQUALITY PHARMACEUTICALS CHINA LTD (CN) | 2024-06-06 | — | — | WO | claimed |
| CN-113286792-B | N-chromen-4-one containing derivatives for the treatment and prevention of hepatitis b virus infection | 豪夫迈·罗氏有限公司 | 2023-12-05 | — | — | CN | claimed |
| CN-116135229-A | Application of hypocrellin-containing derivative with both peri-position and 2-position being simultaneously substituted in preparation of photodynamic anti-tumor drugs | 中国科学院理化技术研究所 | 2023-05-19 | — | — | CN | claimed |
| EP-3680230-B1 | HYPOCRELLIN DERIVATIVE SUBSTITUTED BOTH IN A PERI-POSITION AND IN 2-POSITION BY AMINO, PREPARATION METHOD, AND APPLICATION THEREOF | TECHNICAL INST OF PHYSICS AND CHEMISTRY OF THE CHINESE ACADEMY OF SCIENCES (CN) | 2022-11-02 | — | — | EP | claimed |
| US-20220169639-A1 | N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | HOFFMANN-LA ROCHE INC. (US) | 2022-06-02 | — | — | US | claimed |
| EP-3894402-A1 | N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2021-10-20 | — | — | EP | claimed |
| CN-113286792-A | N-containing chromen-4-one derivatives for the treatment and prevention of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2021-08-20 | — | — | CN | claimed |
| US-20210145968-A1 | HYPOCRELLIN DERIVATIVE SUBSTITUTED BOTH IN A PERI-POSITION AND IN 2-POSITION BY AMINO, PREPARATION METHOD, AND APPLICATION THEREOF | Technical Institute of Physics and Chemistry of the Chinese Academy of Sciences (CN) | 2021-05-20 | — | — | US | claimed |
| WO-2020255017-A1 | COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND DIHYDROPYRIMIDINE DERIVATIVES AS CAPSID ASSEMBLY MODULATORS | Janssen Sciences Ireland Unlimited Company (IE) | 2020-12-24 | — | — | WO | claimed |
| CN-109456210-B | Hypocrellin peri-and 2-amino-substituted derivative and preparation method and application thereof | 中国科学院理化技术研究所 | 2020-09-25 | — | — | CN | claimed |
| US-5019570-A | Antibioics | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-05-28 | — | — | US | claimed |
| EP-0412763-A2 | Cephalosporins, processes for their preparation, pharmaceutical compositions containing them and intermediates therefor | ZENECA LIMITED (GB) | 1991-02-13 | — | — | EP | claimed |
| EP-0164944-B1 | CEPHALOSPORIN DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-07-11 | — | — | EP | claimed |
| EP-0337704-A2 | Beta-lactam derivatives | PHARMACIA S.p.A. (IT) | 1989-10-18 | — | — | EP | claimed |
| EP-0336369-A1 | 3-Acylamino-1-[[[(substituted sulfonyl)amino]carbonyl]amino]2-azetidinones | E.R. Squibb & Sons, Inc. (US) | 1989-10-11 | — | — | EP | claimed |
| CN-1031378-A | Antimicrobial compounds | ICI PLC (GB) | 1989-03-01 | — | — | CN | claimed |
| EP-0304158-A1 | Cephalosporins, processes for their preparation and pharmaceutical compositions containing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-02-22 | — | — | EP | claimed |
| EP-0238060-A2 | Cephalosporin derivatives, processes for their preparation and antibacterial agents | Banyu Pharmaceutical Co., Ltd. (JP) | 1987-09-23 | — | — | EP | claimed |
| EP-0182210-A2 | Cephalosporin derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1986-05-28 | — | — | EP | claimed |
| EP-0164944-A1 | Cephalosporin derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-12-18 | — | — | EP | claimed |