SCHEMBL5891189

SCHEMBL5891189

CC1=CNC=C(C)N1

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
SCHEMBL676625 0.65
SCHEMBL22035393 0.60
SCHEMBL19805586 0.59
SCHEMBL1304127 0.59
SCHEMBL7014344 0.52
SCHEMBL15987161 0.50
SCHEMBL16081714 0.50
SCHEMBL14137757 0.48
SCHEMBL159239 0.44
SCHEMBL895221 0.42

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049453-B2 “Constrained geometry” metallocenes, method for the production thereof and use of the same for the polymerisation of olefins CELANESE VENTURES GMBH (DE) 2006-05-23 US claimed
US-20050187396-A1 \"Constrained geometry\" metallocenes, method for the production thereof and use of the same for the polymerisation of olefins CELANESE VENTURES GMBH (DE) 2005-08-25 US claimed
CN-1643002-A Non-metallocene, its preparation method and use in olefin polymerization CELANESE VENTURES GMBH (DE) 2005-07-20 CN claimed
EP-1523508-A1 \"CONSTRAINED GEOMETRY\" METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS Celanese Ventures GmbH (DE) 2005-04-20 EP claimed
WO-2003080684-A1 'CONSTRAINED GEOMETRY' METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS CELANESE VENTURES GMBH (DE) 2003-10-02 WO claimed
US-7049453-B2 “Constrained geometry” metallocenes, method for the production thereof and use of the same for the polymerisation of olefins CELANESE VENTURES GMBH (DE) 2006-05-23 US disclosed
US-20050187396-A1 \"Constrained geometry\" metallocenes, method for the production thereof and use of the same for the polymerisation of olefins CELANESE VENTURES GMBH (DE) 2005-08-25 US disclosed
CN-1643002-A Non-metallocene, its preparation method and use in olefin polymerization CELANESE VENTURES GMBH (DE) 2005-07-20 CN disclosed
EP-1523508-A1 \"CONSTRAINED GEOMETRY\" METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS Celanese Ventures GmbH (DE) 2005-04-20 EP disclosed
WO-2003080684-A1 'CONSTRAINED GEOMETRY' METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS CELANESE VENTURES GMBH (DE) 2003-10-02 WO disclosed