SCHEMBL487117

SCHEMBL487117

C[C]=C(CC)CC

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
SCHEMBL8135521 0.78
SCHEMBL3421317 0.78
SCHEMBL3420657 0.78
SCHEMBL8172367 0.73
SCHEMBL487128 0.67
SCHEMBL7732139 0.67
SCHEMBL9021365 0.67
SCHEMBL7050529 0.67
SCHEMBL23612 0.67
SCHEMBL4204596 0.67

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344404-A1 PDK4 INHIBITOR AND USE THEREOF THE KITASATO INSTITUTE (JP) 2015-12-03 US disclosed
EP-2939668-A1 PDK4 INHIBITOR AND USE THEREOF The Kitasato Institute (JP) 2015-11-04 EP disclosed
CN-102391203-A Intermediate of 6-substituted-1-methyl-1-h-benzimidazole derivative and method for producing same SANKYO CO 2012-03-28 CN disclosed
US-8106079-B2 Intermediate of 6-substituted-1-methyl-1-H-benzimidazole derivative and method for producing same SANKYO COMPANY, LIMITED (JP) 2012-01-31 US disclosed
CN-101068770-B Process for producing 6-substituted-1-methyl-1-H-benzimidazole derivative and synthetic intermediate therefor SANKYO CO 2012-01-04 CN disclosed
US-7816552-B2 Intermediate of 6-substituted 1-methyl-1-H-benzimidazole derivative and method for producing same SANKYO COMPANY, LIMITED (JP) 2010-10-19 US disclosed
US-20100234612-A1 Intermediate of 6-substituted-1-methyl-1-H-benzimidazole derivative and method for producing same SANKYO COMPANY, LIMITED (JP) 2010-09-16 US disclosed
US-20090023929-A1 Intermediate of 6-Substituted 1-Methyl-1-H-Benzimidazole Derivative and Method for Producing Same SANKYO COMPANY, LIMITED (JP) 2009-01-22 US disclosed
CN-101068770-A Process for producing 6-substituted-1-methyl-1-H-benzimidazole derivative and synthetic intermediate therefor SANKYO CO (JP) 2007-11-07 CN disclosed
EP-1798216-A1 INTERMEDIATE OF 6-SUBSTITUTED-1-METHYL-1-H-BENZIMIDAZOLE DERIVATIVE AND METHOD FOR PRODUCING SAME Sankyo Company, Limited (JP) 2007-06-20 EP disclosed
US-4820821-A ANTIDEPRESSANTS, ANTIHYPOTONIC AGENTS, ANTIPARKINSON DRUGS BASF AKTIENGESELLSCHAFT (DE) 1989-04-11 US disclosed
EP-0078989-B1 PYRIDAZINONE IMINES AND THEIR PHYSIOLOGICALLY TOLERABLE ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND THERAPEUTICAL AGENTS CONTAINING THOSE COMPOUNDS BASF Aktiengesellschaft (DE) 1985-05-08 EP disclosed