SCHEMBL13317643

SCHEMBL13317643

CCN(CC)CCN(CCN(CCN(CC)CC)C(C)=O)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
PAOX Q6QHF9 1/20 0.38
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
CA2 P00918 1/20 0.37
CA1 P00915 2/20 0.37
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 5/20 0.33
LMNA P02545 4/20 0.33
NFKB1 P19838 1/20 0.33
KCNH2 Q12809 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
TDP1 Q9NUW8 2/20 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
SCHEMBL16316831 1.00 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11982862 0.92 CA12 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
Acetic Acid SCHEMBL11511846 0.80 FFAR3 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
Acetic Acid SCHEMBL7704581 0.80 FFAR3 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL491530 0.78 PAOX (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13055369 0.78 CA12 (0.52) CA12CA9CA2CA1NPSR1
SCHEMBL13055370 0.78 CA12 (0.52) CA12CA9CA2CA1NPSR1
SCHEMBL13055372 0.78 CA12 (0.52) CA12CA9CA2CA1NPSR1
SCHEMBL10797859 0.77 NPSR1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12015835 0.77 CHRM1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910454-B2 TRIETHANOLAMINE PERCHLORATO (TRIFLATO) METAL INNER COMPLEX COORDINATION POLYMERS AS ADDITIVES FOR SYNTHETIC POLYMERS CATENA ADDITIVES GMBH & CO KG (DE) 2016-11-30 EP disclosed
US-7741390-B2 Coordination-polymeric triethanolamineperchlorato(triflato)metal inner complexes as additives for synthetic polymers ARTEMIS RESEARCH GMBH & CO. KG (DE) 2010-06-22 US disclosed
EP-1910454-B1 TRIETHANOLAMINE PERCHLORATO (TRIFLATO) METAL INNER COMPLEX COORDINATION POLYMERS AS ADDITIVES FOR SYNTHETIC POLYMERS CATENA ADDITIVES GMBH & CO KG (DE) 2009-10-21 EP disclosed
US-20090131564-A1 COORDINATION-POLYMERIC TRIETHANOLAMINEPERCHLORATO(TRIFLATO)METAL INNER COMPLEXES AS ADDITIVES FOR SYNTHETIC POLYMERS IKA INNOVATIVE KUNSTSTOFFAUFBEREITUNG GMBH & CO. KG (DE) 2009-05-21 US disclosed
US-20090105387-A1 Coordination-polymeric triethanolamineperchlorato(triflato)metal inner complexes as additives for synthetic polymers ARTEMIS RESEARCH GMBH & CO. KG (DE) 2009-04-23 US disclosed
US-20090105387-A1 Coordination-polymeric triethanolamineperchlorato(triflato)metal inner complexes as additives for synthetic polymers ARTEMIS RESEARCH GMBH & CO. KG (DE) 2009-04-23 US disclosed