SCHEMBL2529565

SCHEMBL2529565

CC(C)(C)OCCCCC[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
SCHEMBL2529651 1.00
SCHEMBL7424126 1.00
SCHEMBL713050 0.97
SCHEMBL712363 0.89
SCHEMBL12361992 0.86 MAPK1 (0.35)
SCHEMBL27240066 0.86 MAPK1 (0.35)
SCHEMBL19193963 0.86 MAPK1 (0.35)
SCHEMBL27240036 0.86 MAPK1 (0.35)
SCHEMBL26172972 0.86 MAPK1 (0.35)
SCHEMBL13538316 0.86 MAPK1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
CN-116724040-A Nitrogen-containing compounds for organic electroluminescent devices 默克专利有限公司 2023-09-08 CN disclosed
CN-110225752-B Monocycles as GPR120 modulators 整体健康 2023-05-05 CN disclosed
CN-115594673-A Estrogen receptor modulators and uses thereof 扬子江药业集团南京海陵药业有限公司(CN) 2023-01-13 CN disclosed
CN-115210238-A Substituted aminoquinolones as DGK alpha inhibitors for immune activation 拜耳公司 2022-10-18 CN disclosed
CN-109641182-B Multilayer hollow fiber membrane 杜邦安全与建筑公司 2022-06-03 CN disclosed
CN-110785082-B Compositions and methods comprising triarylpolyamines 库扎环球有限责任公司 2021-12-28 CN disclosed
US-RE39088-E1 Amide compounds and use of the same JAPAN TOBACCO, INC. (JP) 2006-05-02 US disclosed
WO-2005082459-A2 METHOD OF DECREASING BLOOD CELLS JAPAN TOBACCO INC. (JP) 2005-09-09 WO disclosed
US-20050187221-A1 Method of treating ischemia reperfusion injury JAPAN TOBACCO INC. (JP) 2005-08-25 US disclosed
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 EP disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed