SCHEMBL94890

SCHEMBL94890

[O]CCCCC(=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
SCHEMBL1006815 0.97 TSHR (0.75)
SCHEMBL1008881 0.97 TSHR (0.75)
SCHEMBL1006395 0.97 TSHR (0.75)
SCHEMBL1006840 0.97 TSHR (0.75)
SCHEMBL95801 0.97
SCHEMBL1008155 0.97 TSHR (0.75)
SCHEMBL95166 0.97 TSHR (0.75)
SCHEMBL821656 0.97 TSHR (0.75)
SCHEMBL1007211 0.97 TSHR (0.75)
SCHEMBL7553266 0.97 TSHR (0.75)

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 495 patents — showing the first 20. 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
CN-107835813-B 6, 7-dihydropyrido [2,1-a ] phthalazin-2-ones for the treatment and prevention of hepatitis b virus infections 豪夫迈·罗氏有限公司 2020-04-24 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-3328858-B1 NOVEL 6,7-DIHYDROPYRIDO[2,1-A]PHTHALAZIN-2-ONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-05-15 EP claimed
US-10150740-B2 6,7-dihydropyrido[2,1-A]phthalazin-2-ones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2018-12-11 US claimed
EP-3328858-A1 NOVEL 6,7-DIHYDROPYRIDO[2,1-A]PHTHALAZIN-2-ONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION H. Hoffnabb-La Roche Ag (CH) 2018-06-06 EP claimed
US-20180127381-A1 NOVEL 6,7-DIHYDROPYRIDO[2,1-A]PHTHALAZIN-2-ONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-05-10 US 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-2017017043-A1 NOVEL 6,7-DIHYDROPYRIDO[2,1-A]PHTHALAZIN-2-ONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2017-02-02 WO claimed
US-20080014602-A1 Fluorescent Probe SEKISUI MEDICAL CO., LTD. (JP) 2008-01-17 US claimed
CN-101057819-A Nutrition recuperating shampoo with plant keratin CHEN XIAOGANG (CN) 2007-10-24 CN claimed
JP-2007506661-A 2007-03-22 JP claimed
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US claimed
EP-1674579-A1 FLUORESCENT PROBE DAIICHI PURE CHEMICALS CO., LTD. (JP) 2006-06-28 EP claimed
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP claimed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 WO claimed
EP-0626374-B1 A diaminostilbene series compound and a method for forming an image using the same FUJI PHOTO FILM CO LTD (JP) 2002-08-07 EP claimed
US-5395742-A IMAGEWISE EXPOSURE OF A PHOTOGRAPHIC MATERIAL TO LIGHT FUJI PHOTO FILM CO., LTD. (JP) 1995-03-07 US claimed
EP-0626374-A2 A diaminostilbene series compound and a method for forming an image using the same FUJI PHOTO FILM CO., LTD. (JP) 1994-11-30 EP claimed