SCHEMBL6445168

SCHEMBL6445168

O=S(=O)(c1cccc(OCCO)c1OCCO)c1cccc(OCCO)c1OCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.38
TSHR P16473 4/20 0.38
CHRM2 P08172 2/20 0.38
LMNA P02545 2/20 0.38
CHRM1 P11229 1/20 0.38
ALOX15 P16050 1/20 0.38
ACHE P22303 1/20 0.38
KCNH2 Q12809 1/20 0.38
HIF1A Q16665 1/20 0.38
IDO1 P14902 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
TUBB1 Q9H4B7 1/20 0.34
HTT P42858 1/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL29636415 1.00 GAA (0.38) GAATSHRCHRM2LMNACHRM1
SCHEMBL5414167 0.89 HTR6 (0.47) GAATSHRLMNAIDO1ALDH1A1
SCHEMBL11836191 0.88 TSHR (0.37) GAATSHRCHRM2LMNACHRM1
SCHEMBL31687979 0.84 ALDH1A1 (0.45) GAALMNAIDO1ALDH1A1RECQL
SCHEMBL34117 0.84 ALDH1A1 (0.45) GAALMNAIDO1ALDH1A1RECQL
SCHEMBL6874469 0.84 ALDH1A1 (0.45) GAALMNAIDO1ALDH1A1RECQL
SCHEMBL8897368 0.81 LMNA (0.52) GAATSHRCHRM2LMNACHRM1
SCHEMBL8702941 0.75 ALDH1A1 (0.44) GAALMNAIDO1ALDH1A1RECQL
SCHEMBL9601860 0.75 CA12 (0.42) GAALMNAL3MBTL1ALDH1A1RECQL
SCHEMBL8711099 0.74 RECQL (0.51) TSHRLMNAL3MBTL1ALDH1A1RECQL

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
US-9315690-B2 Aqueous pigment dispersions based on polyurethane dispersants having components to interact with cellulose E I DU PONT DE NEMOURS AND COMPANY (US) 2016-04-19 US disclosed
US-9062228-B2 Aqueous inkjet inks containing polyurethane binders with components to interact with cellulose E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 US disclosed
US-20150011703-A1 AQUEOUS PIGMENT DISPERSIONS BASED ON POLYURETHANE DISPERSANTS HAVING COMPONENTS TO INTERACT WITH CELLULOSE DUPONT ELECTRONICS, INC. 2015-01-08 US disclosed
EP-2798020-A2 AQUEOUS PIGMENT DISPERSIONS BASED ON POLYURETHANE DISPERSANTS HAVING COMPONENTS TO INTERACT WITH CELLULOSE E. I. Du Pont de Nemours and Company (US) 2014-11-05 EP disclosed
US-20130182032-A1 AQUEOUS INKJET INKS CONTAINING POLYURETHANE BINDERS WITH COMPONENTS TO INTERACT WITH CELLULOSE E I DU PONT DE NEMOURS AND COMPANY (US) 2013-07-18 US disclosed
WO-2013098652-A2 AQUEOUS PIGMENT DISPERSIONS BASED ON POLYURETHANE DISPERSANTS HAVING COMPONENTS TO INTERACT WITH CELLULOSE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-07-04 WO disclosed
US-6956072-B1 Thermoplastic resin composition and molded object thereof POLYPLASTICS CO., LTD. (JP) 2005-10-18 US disclosed