SCHEMBL2939622

SCHEMBL2939622

CC(O)C#CC(=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
SCHEMBL15145733 1.00
SCHEMBL27094829 1.00
SCHEMBL1444571 0.79
SCHEMBL10748799 0.78 TP53 (0.36)
SCHEMBL10748803 0.78 TP53 (0.36)
Hydrochloric Acid SCHEMBL10660012 0.77
SCHEMBL8978045 0.77
SCHEMBL4161024 0.77
SCHEMBL752443 0.77
SCHEMBL27529857 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661941-B1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP claimed
US-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2021-11-30 US claimed
US-20200181171-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-06-11 US claimed
EP-3661941-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-06-10 EP claimed
WO-2019025099-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-07 WO claimed
US-20240279338-A1 Combination Treatment of Cancer ARES TRADING SA (CH) 2024-08-22 US disclosed
US-20240228505-A1 BICYCLIC PYRIDINE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2024-07-11 US disclosed
US-20240150370-A1 BICYCLIC PYRIDINE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2024-05-09 US disclosed
EP-4324834-A1 BICYCLIC PYRIDINE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2024-02-21 EP disclosed
US-11691982-B2 Thailanstatin analogs PH PHARMA CO., LTD. (KR) 2023-07-04 US disclosed
EP-3661941-B1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP disclosed
US-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2021-11-30 US disclosed
US-20090155865-A1 Esterases and their Use for Processes for Kinetic Resolution of Butinolesters BASF AKTIENGESELLSCHAFT (DE) 2009-06-18 US disclosed
EP-1937809-A1 NEW ESTERASES AND THEIR USE FOR PROCESSES FOR KINETIC RESOLUTION OF BUTINOLESTERS BASF SE (DE) 2008-07-02 EP disclosed
US-20080103192-A1 CONJUGATES OF ARTEMISININ-RELATED ENDOPEROXIDES AND HYDRAZONE DERIVATIVES FOR THE TREATMENT OF CANCER WASHINGTON, UNIVERSITY OF (US) 2008-05-01 US disclosed
WO-2008046109-A2 CONJUGATES OF ARTEMISININ-RELATED ENDOPEROXIDES AND HYDRAZONE DERIVATIVES FOR THE TREATMENT OF CANCER UNIVERSITY OF WASHINGTON (US) 2008-04-17 WO disclosed
WO-2007042444-A1 NEW ESTERASES AND THEIR USE FOR PROCESSES FOR KINETIC RESOLUTION OF BUTINOLESTERS BASF SE (DE) 2007-04-19 WO disclosed
EP-1658302-A2 PURINE NUCLEOSIDE ANALOGUES FOR TREATING DISEASES CAUSED BY FLAVIVIRIDAE INCLUDING HEPATITIS C Idenix (Cayman) Limited (KY) 2006-05-24 EP disclosed
US-20050075309-A1 Treatment of pestivirus, flavivirus and hepatitis C virus infection by administering tan effective amount of an anti-HCV biologically active pentofuranonucleoside where the pentofuranonucleoside base is an optionally substituted 2-azapurine;viricides; nontoxic; side effects reduction IDENIX PHARMACEUTICALS, INC. 2005-04-07 US disclosed
WO-2005009418-A2 PURINE NUCLEOSIDE ANALOGUES FOR TREATING DISEASES CAUSED BY FLAVIVIRIDAE INCLUDING HEPATITIS C IDENIX (CAYMAN) LIMITED (KY) 2005-02-03 WO disclosed