⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL207914 | 0.85 | — | — | |
| SCHEMBL1247046 | 0.83 | — | — | |
| SCHEMBL6980699 | 0.78 | TSHR (0.34) | — | |
| SCHEMBL1247319 | 0.77 | CA2 (0.33) | — | |
| SCHEMBL9626950 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL7400648 | 0.74 | — | — | |
| SCHEMBL7287976 | 0.73 | — | — | |
| SCHEMBL95944 | 0.72 | — | — | |
| SCHEMBL1307414 | 0.72 | ALDH1A1 (0.45) | — | |
| SCHEMBL8781970 | 0.71 | ALDH1A1 (0.37) | — |
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 54 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 |
| 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 |
| WO-2011014520-A2 | COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY | IRM LLC (BM) | 2011-02-03 | — | — | WO | claimed |
| CN-101648947-A | 4-(n-phenylamino)-quinazolines / quinolines as tyrosine kinase inhibitors | BOEHRINGER INGELHEIM PHARMA DE | 2010-02-17 | — | — | CN | 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 |
| EP-1670781-A1 | QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF | Boehringer Ingelheim International GmbH (DE) | 2006-06-21 | — | — | EP | 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 |
| CN-1642552-A | 4- (N-phenylamino) -quinazolines/quinolines as tyrosine kinase inhibitors | BOEHRINGER INGELHEIM PHARMA (DE) | 2005-07-20 | — | — | CN | claimed |
| WO-2005033096-A1 | QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-04-14 | — | — | WO | 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 |
| 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-2003082290-A1 | 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2003-10-09 | — | — | WO | claimed |