SCHEMBL18205458

SCHEMBL18205458

NC([O])CCC(=O)O

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL3454134 0.80
SCHEMBL18371 0.79
SCHEMBL289090 0.79 ENPEP (0.76)
Methane SCHEMBL27854772 0.77
Hydrochloric Acid SCHEMBL6948119 0.77
SCHEMBL692834 0.77
SCHEMBL27881539 0.77
SCHEMBL16306471 0.77
SCHEMBL4950896 0.76 GRM8 (0.65)
SCHEMBL25384088 0.74 CYP1A2 (0.71)

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4219767-A1 PAPD5 AND PAPD7 INHIBITORS FOR TREATING A HEPATITIS B INFECTION F. Hoffmann-La Roche AG (CH) 2023-08-02 EP disclosed
CN-116196411-A PAPD5 and PAPD7 inhibitors for the treatment of hepatitis B infection 豪夫迈·罗氏有限公司 2023-06-02 CN disclosed
CN-109328237-B Inhibitors of PAPD5 and PAPD7 for the treatment of hepatitis b infection 豪夫迈·罗氏有限公司 2022-12-06 CN disclosed
US-20220096527-A1 PAPD5 AND PAPD7 INHIBITORS FOR TREATING A HEPATITIS B INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-03-31 US disclosed
US-11191775-B2 PAPD5 and PAPD7 inhibitors for treating a hepatitis B infection HOFFMANN-LA ROCHE INC. (US) 2021-12-07 US disclosed
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 disclosed
US-20190194768-A1 PAPD5 AND PAPD7 INHIBITORS FOR TREATING A HEPATITIS B INFECTION HOFFMANN-LA ROCHE INC. (US) 2019-06-27 US disclosed
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 disclosed
EP-3472346-A1 PAPD5 AND PAPD7 INHIBITORS FOR TREATING A HEPATITIS B INFECTION F. Hoffmann-La Roche AG (CH) 2019-04-24 EP disclosed
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 disclosed
WO-2017216391-A1 PAPD5 AND PAPD7 INHIBITORS FOR TREATING A HEPATITIS B INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2017-12-21 WO disclosed
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 disclosed
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 disclosed
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 disclosed