SCHEMBL4920164

SCHEMBL4920164

CC(C)CNCCNCCNCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
ANPEP P15144 1/20 0.37
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CYP2D6 P10635 1/20 0.35
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
CA2 P00918 2/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA3 P07451 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL4919942 1.00 ADH1B (0.43) ADH1BADH1CADH1ACYP2C19ALDH1A1
SCHEMBL5038379 1.00 ADH1B (0.43) ADH1BADH1CADH1ACYP2C19ALDH1A1
SCHEMBL1005943 0.96 ADH1B (0.45) ADH1BADH1CADH1ACYP2C19ALDH1A1
SCHEMBL23189474 0.88 ADH1B (0.36) ADH1BADH1CADH1ACYP2C19ALDH1A1
SCHEMBL22813889 0.88 ADH1B (0.36) ADH1BADH1CADH1ACYP2C19ALDH1A1
SCHEMBL23731285 0.88 ADH1B (0.36) ADH1BADH1CADH1ACYP2C19ALDH1A1
SCHEMBL10045260 0.87 CYP2C19 (0.45) ADH1BADH1CADH1ACYP2C19ALDH1A1
SCHEMBL10379832 0.86 CA12 (0.58) ADH1BADH1CADH1ACYP2C19ALDH1A1
SCHEMBL18551187 0.86 ADH1B (0.35) ADH1BADH1CADH1ACYP2C19ALDH1A1
SCHEMBL4919370 0.86 CA12 (0.58) ADH1BADH1CADH1ACYP2C19ALDH1A1

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