SCHEMBL4911552

SCHEMBL4911552

CC(C)CNCCN(CCN)CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ANPEP P15144 1/20 0.33
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4914652 0.96 CYP2C9 (0.39) CYP2C9CYP2C19ANPEPTDP1
SCHEMBL4919954 0.96 CYP2C9 (0.39) CYP2C9CYP2C19ANPEPTDP1
SCHEMBL22225399 0.92 CYP2C9 (0.44) CYP2C9CYP2C19TDP1
SCHEMBL22078772 0.90 CYP2C19 (0.37) CYP2C9CYP2C19ANPEPTDP1
SCHEMBL6141821 0.86 CYP1A2 (0.32) CYP2C19ANPEP
SCHEMBL19781883 0.83 CYP2C9 (0.50) CYP2C9CYP2C19TDP1
SCHEMBL21483630 0.83 CYP2C9 (0.50) CYP2C9CYP2C19TDP1
SCHEMBL25098003 0.81 CYP2C9 (0.48) CYP2C9CYP2C19TDP1
SCHEMBL25137179 0.81 CYP2C9 (0.44) CYP2C9CYP2C19ANPEPTDP1
SCHEMBL22219748 0.81 CYP2C9 (0.35) CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP claimed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP claimed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US claimed
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP disclosed
US-8552078-B2 Non-fugitive tertiary amine catalyst and alkylated polyamine crosslinking additives; aging resistance AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-10-08 US disclosed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP disclosed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US disclosed