⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5647294 | 0.93 | — | — | |
| SCHEMBL3023260 | 0.91 | ALDH1A1 (0.40) | — | |
| SCHEMBL119173 | 0.84 | — | — | |
| SCHEMBL5646933 | 0.76 | — | — | |
| SCHEMBL5604307 | 0.76 | CA2 (0.34) | — | |
| SCHEMBL2281512 | 0.75 | — | — | |
| SCHEMBL3156956 | 0.75 | — | — | |
| SCHEMBL5262403 | 0.75 | TSHR (0.43) | — | |
| SCHEMBL3027599 | 0.75 | TSHR (0.34) | — | |
| SCHEMBL3583741 | 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 167 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 |
| 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-1492536-B1 | 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS | BOEHRINGER INGELHEIM PHARMA (DE) | 2012-05-09 | — | — | EP | claimed |
| US-8053457-B2 | 3-imidazolyl-indoles for the treatment of proliferative diseases | NOVARTIS AG (CH) | 2011-11-08 | — | — | US | claimed |
| EP-2298305-A1 | 4-(N-Phenylamino)-quinazolines/quinolines as inhibitors of tyrosine kinases | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2011-03-23 | — | — | EP | claimed |
| US-20100125064-A1 | 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases | NOVARTIS AG (CH) | 2010-05-20 | — | — | US | claimed |
| EP-1554275-A2 | COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-07-20 | — | — | EP | claimed |
| US-20050070560-A1 | Bicyclic heterocycles, medicaments containing these compounds, their use and processes for their preparation | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-03-31 | — | — | US | claimed |
| US-20050038016-A1 | Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists | ROCHE PALO ALTO LLC | 2005-02-17 | — | — | US | claimed |
| EP-1492536-A1 | 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2005-01-05 | — | — | 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 |
| WO-2003082290-A1 | 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2003-10-09 | — | — | WO | claimed |
| EP-0952842-A2 | A METHOD OF TREATING CANCER | Merck & Co., Inc. (US) | 1999-11-03 | — | — | EP | claimed |
| WO-1997038664-A2 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 1997-10-23 | — | — | WO | claimed |
| US-4315855-A | Monoazo disperse dyes containing a nitrophenyl group and a homophthalimide group | BASF AKTIENGESELLSCHAFT (DE) | 1982-02-16 | — | — | US | claimed |