SCHEMBL1060577

SCHEMBL1060577

CC(C)([O])CC#N

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
SCHEMBL686751 0.74
SCHEMBL9535784 0.74
SCHEMBL17998202 0.74 ALDH1A1 (0.38)
SCHEMBL2372028 0.71
SCHEMBL11319608 0.70
SCHEMBL992720 0.69
Nitrous Acid SCHEMBL28779400 0.69 CA1 (0.33)
SCHEMBL5660517 0.69
SCHEMBL2279228 0.69
SCHEMBL812624 0.69

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142946-A1 Modified nucleosides and nucleotides and use thereof CHATTOPADHYAYA JYOTI (SE) 2004-07-22 US claimed
EP-1332150-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES AND USE THEREOF Chattopadhyaya, Jyoti (SE) 2003-08-06 EP claimed
WO-2002038578-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES AND USE THEREOF CHATTOPADHYAYA JYOTI (SE) 2002-05-16 WO claimed
US-5721350-A Deuterated nucleosides CHATTOPADHYAYA JYOTI (SE) 1998-02-24 US claimed
EP-0648220-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA, Jyoti (SE) 1995-04-19 EP claimed
WO-1993025566-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA JYOTI (SE) 1993-12-23 WO claimed
US-11780874-B2 Nucleoside derivative and use thereof YAMASA CORPORATION (JP) 2023-10-10 US disclosed
CN-109803956-B Novel benzamide compound, process for producing the same, and acaricide 日本欧爱特农业科技株式会社 2023-08-29 CN disclosed
US-20230265120-A1 NUCLEOSIDE DERIVATIVE AND USE THEREOF NATIONAL UNIVERSITY CORPORATION TOKAI NATIONAL HIGHER EDUCATION AND RESEARCH SYSTEM (JP) 2023-08-24 US disclosed
US-11643432-B2 Nucleoside derivative and use thereof NATIONAL UNIVERSITY CORPORATION TOKAI NATIONAL HIGHER EDUCATION AND RESEARCH SYSTEM (JP) 2023-05-09 US disclosed
US-20230011179-A1 NUCLEOSIDE DERIVATIVE AND USE THEREOF NATIONAL UNIVERSITY CORPORATION TOKAI NATIONAL HIGHER EDUCATION AND RESEARCH SYSTEM (JP) 2023-01-12 US disclosed
US-20220177509-A1 PRODUCTION OF BRIDGED ARTIFICIAL NUCLEOSIDES NIPPON SHOKUBAI CO., LTD. (JP) 2022-06-09 US disclosed
EP-3950696-A1 MANUFACTURING OF BRIDGED ARTIFICIAL NUCLEOSIDE Nippon Shokubai Co., Ltd. (JP) 2022-02-09 EP disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0641321-A1 SUBSTITUTED ISOINDOLONES BASF Aktiengesellschaft (DE) 1995-03-08 EP disclosed
EP-0637298-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF Aktiengesellschaft (DE) 1995-02-08 EP disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
WO-1993024456-A1 SUBSTITUTED ISOINDOLONES BASF AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed