SCHEMBL3965252

SCHEMBL3965252

CCC1=C(N)CCCCC1CC

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.44
NOS2 P35228 9/20 0.44
NOS3 P29474 5/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL516418 0.94 NOS3 (0.41) NOS1NOS2NOS3
SCHEMBL516443 0.85 NOS3 (0.35) NOS1NOS2NOS3
SCHEMBL2690544 0.71 NOS3 (0.34) NOS1NOS2NOS3
SCHEMBL2688358 0.71 NOS3 (0.34) NOS1NOS2NOS3
SCHEMBL198217 0.70 NOS3 (0.41) NOS1NOS2NOS3
SCHEMBL743607 0.70 NOS3 (0.41) NOS1NOS2NOS3
SCHEMBL11744548 0.68 NOS3 (0.31) NOS1NOS2NOS3
SCHEMBL23607887 0.68 NOS3 (0.39) NOS1NOS2NOS3
SCHEMBL10867159 0.68 NOS3 (0.39) NOS1NOS2NOS3
SCHEMBL23607890 0.68 NOS3 (0.39) NOS1NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1992630-B1 Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins TICONA GMBH (DE) 2012-10-31 EP disclosed
EP-1480987-B1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS CELANESE HOLDING GMBH (DE) 2009-07-29 EP disclosed
EP-1992630-A1 Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins Celanese Holding GmbH (DE) 2008-11-19 EP disclosed
EP-1290002-B1 CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-01-21 EP disclosed