⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5647301 | 0.95 | — | — | |
| SCHEMBL3023263 | 0.93 | ADH1B (0.56) | — | |
| SCHEMBL119174 | 0.84 | — | — | |
| SCHEMBL3316185 | 0.84 | ADH1B (0.48) | — | |
| Hydrochloric Acid SCHEMBL3996356 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL3856795 | 0.82 | — | — | |
| SCHEMBL1085800 | 0.81 | — | — | |
| SCHEMBL3318576 | 0.78 | ADH1B (0.44) | — | |
| SCHEMBL8068062 | 0.78 | ADH1B (0.71) | — | |
| SCHEMBL3041290 | 0.77 | — | — |
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 251 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107624113-B | Tetrahydropyridopyrimidines and tetrahydropyridopyridines as inhibitors of HBsAg (HBV surface antigen) and HBV DNA production for the treatment of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2020-10-23 | — | — | CN | claimed |
| EP-3292120-B1 | TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS | HOFFMANN LA ROCHE (CH) | 2019-06-19 | — | — | EP | claimed |
| EP-3292120-A1 | TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS | H. Hoffnabb-La Roche Ag (CH) | 2018-03-14 | — | — | EP | claimed |
| US-9845322-B2 | Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection | HOFFMANN-LA ROCHE INC. (US) | 2017-12-19 | — | — | US | claimed |
| EP-3008055-B1 | TETRAZOLONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-07-19 | — | — | EP | claimed |
| WO-2016177655-A1 | TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-11-10 | — | — | WO | claimed |
| US-20160326167-A1 | Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection | HOFFMANN-LA ROCHE INC. (US) | 2016-11-10 | — | — | US | claimed |
| EP-3008055-A1 | NOVEL TETRAZOLONE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2016-04-20 | — | — | EP | claimed |
| US-20160083357-A1 | NOVEL TETRAZOLONE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2016-03-24 | — | — | US | claimed |
| WO-2014198592-A1 | NOVEL TETRAZOLONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-12-18 | — | — | WO | claimed |
| US-7119084-B2 | Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-10-10 | — | — | US | claimed |
| US-20060004051-A1 | Compounds | DODIC NERINA | 2006-01-05 | — | — | US | claimed |
| US-20050182043-A1 | Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-08-18 | — | — | US | claimed |
| US-6924285-B2 | Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them | BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) | 2005-08-02 | — | — | US | claimed |
| EP-1554275-A2 | COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-07-20 | — | — | EP | claimed |
| US-20040048880-A1 | Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-03-11 | — | — | US | claimed |
| WO-2004013134-A2 | COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-02-12 | — | — | WO | claimed |
| US-6617483-B1 | Extractive distillation for separating a mixture of hydrocarbons with an alkylene glycol and a compatibility agent having polar parameters and hydrogen bonding parameters that result in improved separation | GAYLORD CHEMICAL CORPORATION | 2003-09-09 | — | — | US | claimed |
| US-4315855-A | Monoazo disperse dyes containing a nitrophenyl group and a homophthalimide group | BASF AKTIENGESELLSCHAFT (DE) | 1982-02-16 | — | — | US | claimed |
| US-4009158-A | DYEING AND PRINTING FIBERS | SANDOZ LTD. (CH) | 1977-02-22 | — | — | US | claimed |