⚠ 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 | 1.00 | ALDH1A1 (0.37) | — | |
| SCHEMBL10358156 | 1.00 | ALDH1A1 (0.37) | — | |
| SCHEMBL8812842 | 1.00 | ALDH1A1 (0.37) | — | |
| SCHEMBL11145464 | 1.00 | ALDH1A1 (0.37) | — | |
| SCHEMBL28206446 | 1.00 | ALDH1A1 (0.37) | — | |
| SCHEMBL4539948 | 0.97 | TSHR (0.35) | — | |
| SCHEMBL384737 | 0.97 | — | — | |
| SCHEMBL1283751 | 0.90 | — | — | |
| SCHEMBL197756 | 0.82 | — | — | |
| SCHEMBL17024326 | 0.76 | 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 685 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| 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 |
| WO-2020120528-A1 | N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2020-06-18 | — | — | WO | claimed |
| US-20200062753-A1 | 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection | HOFFMANN-LA ROCHE INC. (US) | 2020-02-27 | — | — | US | claimed |
| US-10428069-B2 | 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection | HOFFMANN-LA ROCHE INC. (US) | 2019-10-01 | — | — | US | claimed |
| CN-109456210-A | 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 | 2019-03-12 | — | — | CN | claimed |
| US-4816452-A | ANTIBIOTICS | BEECHAM GROUP P.L.C. (GB) | 1989-03-28 | — | — | US | claimed |
| US-4797394-A | 6-(1-carbamoyl-1-hydroxymethyl)penicillanic acid derivatives | PFIZER INC. (US) | 1989-01-10 | — | — | US | claimed |
| WO-1988008845-A1 | DIASTEREOMERIC 5R,6S-6-(1R-HYDROXYETHYL)-2-(CIS-1-OXO-3-THIOLANYLTHIO)-2-PENEM-3-CARBOXYLIC ACIDS | PFIZER INC. (US) | 1988-11-17 | — | — | WO | claimed |
| EP-0238060-A2 | Cephalosporin derivatives, processes for their preparation and antibacterial agents | Banyu Pharmaceutical Co., Ltd. (JP) | 1987-09-23 | — | — | EP | claimed |
| EP-0210815-A2 | 6-Beta-(alpha-etherified oxyimino)-acylamino penicillanic-acid derivatives, their preparation and use | BEECHAM GROUP PLC (GB) | 1987-02-04 | — | — | EP | claimed |
| CN-85109769-A | The preparation of cephalosporins derivatives and application | — | 1986-12-17 | — | — | CN | claimed |
| CN-85109545-A | Process for preparing cephalosporin derivatives | — | 1986-07-23 | — | — | CN | claimed |
| EP-0186187-A2 | Cephalosporin derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1986-07-02 | — | — | EP | claimed |
| EP-0182210-A2 | Cephalosporin derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1986-05-28 | — | — | EP | claimed |
| EP-0055917-B1 | NEW BENZOTHIAZINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1984-11-21 | — | — | EP | claimed |