SCHEMBL456220

SCHEMBL456220

O=COCCC1CC1

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
SCHEMBL1666337 0.90 ADH1B (0.37)
SCHEMBL1451000 0.90
SCHEMBL28322845 0.89 CHRM2 (0.30)
SCHEMBL5543967 0.88 ADH1B (0.40)
SCHEMBL73403 0.88 ADH1B (0.40)
SCHEMBL27705383 0.88 ADH1B (0.40)
SCHEMBL5546608 0.85
SCHEMBL1978098 0.84 DAO (0.33)
SCHEMBL27367584 0.84 GABRA5 (0.35)
SCHEMBL4622381 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641873-A N- (pyridine -2- base) pyridine-sulfamide derivative and its purposes for disease treatment 诺华股份有限公司 2019-04-16 CN claimed
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP claimed
EP-2758389-B1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-06-07 EP claimed
US-9394282-B2 Pyrazole carboxamides as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-19 US claimed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US claimed
US-20140235641-A1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS INTERVET INC. 2014-08-21 US claimed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US claimed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US claimed
US-4092474-A Cephalosporins having a metaloxy group in 3-substituent SHIONOGI & CO., LTD. (JA) 1978-05-30 US claimed
EP-4029856-B1 ARYLAZOLE COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO (JP) 2024-03-27 EP disclosed
US-11884633-B2 Arylazole compound and pest control agent NIPPON SODA CO., LTD. (JP) 2024-01-30 US disclosed
CN-115181067-A Arylpyrazole compound and pest control agent 日本曹达株式会社 2022-10-14 CN disclosed
EP-4029856-A1 ARYLAZOLE COMPOUND AND PEST CONTROL AGENT Nippon Soda Co., Ltd. (JP) 2022-07-20 EP disclosed
CN-108430976-B Arylpyrazole compound and pest control agent 日本曹达株式会社 2022-07-05 CN disclosed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US disclosed
US-4183928-A Haloarylmalonamidooxacephalosporins SHIONOGI AND CO., LTD. (JP) 1980-01-15 US disclosed
US-4160085-A Cyclization to form cephem ring and intermediates therefor SHIONOGI & CO., LTD. (JP) 1979-07-03 US disclosed
US-4159984-A METAL AND PROTON DONOR SHIONOGI & CO., LTD. (JP) 1979-07-03 US disclosed
US-4092474-A Cephalosporins having a metaloxy group in 3-substituent SHIONOGI & CO., LTD. (JA) 1978-05-30 US disclosed
US-4079181-A INTERMEDIATES FOR 3-HYDROXY-3-CEPHEM COMPOUNDS SHIONOGI & CO., LTD. (JA) 1978-03-14 US disclosed