SCHEMBL48475

SCHEMBL48475

CC(=O)NCCC#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
SCHEMBL25050720 0.86
SCHEMBL28810976 0.82 KDM4E (0.67)
SCHEMBL11757886 0.82 KDM4E (0.67)
SCHEMBL11631502 0.79 MAPT (0.46)
SCHEMBL21680824 0.79
SCHEMBL11022965 0.79 TSHR (0.69)
SCHEMBL6021690 0.79 EPHX1 (0.39)
SCHEMBL491407 0.78 MAPT (0.38)
SCHEMBL462879 0.77
SCHEMBL293766 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127827-B1 PROCESS FOR PREPARING CHLOROPYRIMIDINES BAYER AG (DE) 1990-01-24 EP claimed
EP-0127827-A2 Process for preparing chloropyrimidines BAYER AG (DE) 1984-12-12 EP claimed
EP-3099304-B1 CHROMAN DERIVATIVES AND THEIR USE IN THE TREATMENT OF GLAUCOMA MAYO FOUND MEDICAL EDUCATION & RES (US) 2024-07-17 EP disclosed
EP-4215530-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC Corporation (US) 2023-07-26 EP disclosed
CN-115666538-A FEM1B protein binding agents and uses thereof 加利福尼亚大学董事会 2023-01-31 CN disclosed
EP-3795568-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF Pharmakea, Inc. (US) 2021-03-24 EP disclosed
CN-109286041-B Electrolyte and secondary lithium battery 宁德时代新能源科技股份有限公司 2020-12-11 CN disclosed
EP-3265456-B1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2020-11-18 EP disclosed
WO-2020018610-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION (US) 2020-01-23 WO disclosed
US-20170360794-A1 JAK INHIBITOR Wuxi Fortune Pharmaceutical Co., Ltd (CN) 2017-12-21 US disclosed
EP-3248980-A1 JAK INHIBITOR Wuxi Fortune Pharmaceutical Co., Ltd (CN) 2017-11-29 EP disclosed
WO-2007053776-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-10 WO disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
EP-0757682-B1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO (JP) 2001-06-20 EP disclosed
US-5858995-A ADMINISTERING TO HUMANS AND ANIMALS IN THE TREATMENT OF DISEASES CAUSED BY ABNORMAL BONE METABOLISM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0757682-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029907-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-09 WO disclosed
EP-0127827-B1 PROCESS FOR PREPARING CHLOROPYRIMIDINES BAYER AG (DE) 1990-01-24 EP disclosed
EP-0127827-A2 Process for preparing chloropyrimidines BAYER AG (DE) 1984-12-12 EP disclosed
EP-0127827-A2 Process for preparing chloropyrimidines BAYER AG (DE) 1984-12-12 EP disclosed