SCHEMBL1729649

SCHEMBL1729649

O=C(O)OC1(OC(=O)O)CCC1.O=C(O)OCCCCCCCCCCCCCCOC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NAAA Q02083 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
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
SCHEMBL1743560 0.82
SCHEMBL7057969 0.78 CYP2C19 (0.32) LMNAALDH1A1TSHR
SCHEMBL8508151 0.78 TSHR (0.48) ALDH1A1CYP3A4TSHRNAAAHCAR2
SCHEMBL8505232 0.78 TSHR (0.48) ALDH1A1CYP3A4TSHRNAAAHCAR2
SCHEMBL8507336 0.78 TSHR (0.48) ALDH1A1CYP3A4TSHRNAAAHCAR2
SCHEMBL1729891 0.78 TSHR (0.48) ALDH1A1CYP3A4TSHRNAAAHCAR2
SCHEMBL284653 0.78 TSHR (0.48) ALDH1A1CYP3A4TSHRNAAAHCAR2
SCHEMBL8505503 0.78 TSHR (0.48) ALDH1A1CYP3A4TSHRNAAAHCAR2
SCHEMBL8505895 0.78 TSHR (0.48) ALDH1A1CYP3A4TSHRNAAAHCAR2
SCHEMBL2513161 0.78 TSHR (0.48) ALDH1A1CYP3A4TSHRNAAAHCAR2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2739169-B1 POROUS CATALYTIC MATRICES FOR ELIMINATION OF TOXICANTS FOUND IN TOBACCO COMBUSTION PRODUCTS MASSACHUSETTS INST TECHNOLOGY (US) 2019-06-12 EP claimed
EP-1687462-B1 METHOD FOR ELECTROCHEMICAL PRODUCTION OF A CRYSTALLINE POROUS METAL ORGANIC SKELETON MATERIAL FRAUNHOFER GES FORSCHUNG (DE) 2019-03-13 EP disclosed
EP-2798013-B1 ANTI-REFLECTIVE COATING LEIBNIZ INST FÜR NEUE MATERIALIEN GEMEINNÜTZIGE GMBH (DE) 2016-08-17 EP disclosed
EP-2168971-B1 Fluid absorption by metal-organic frameworks BASF SE (DE) 2016-08-03 EP disclosed
EP-2230288-B1 METAL-ORGANIC FRAMEWORKS IN REFRIGERATION/HEATING MACHINES BASF SE (DE) 2016-05-25 EP disclosed
EP-2408536-B1 PROCESS FOR SEPARATING ACID GASES USING AMINE IMPREGNATED METAL ORGANIC FRAMEWORKS BASF SE (DE) 2014-07-30 EP disclosed
EP-2117676-B1 METHOD FOR SEPARATING GASES USING A POROUS METAL ORGANIC FRAMEWORK MATERIAL BASF SE (DE) 2014-06-25 EP disclosed
EP-2408684-B1 BIOLOGICALLY DEGRADABLE MATERIAL BASED ON A POLYMERIC MATERIAL CONTAINING POROUS ORGANOMETALLIC NETWORKS BASF SE (DE) 2013-08-21 EP disclosed
EP-2013144-B1 METAL OXIDES PRODUCED FROM METAL-ORGANIC FRAMEWORK MATERIALS BASF SE (DE) 2012-10-03 EP disclosed
EP-2242557-B1 POROUS METAL-ORGANIC FRAMEWORK MATERIALS AS DRYING AGENTS BASF SE (DE) 2011-11-23 EP disclosed
EP-1984378-B1 PROCESS FOR PREPARING POROUS ORGANIC FRAMEWORK MATERIALS BASF SE (DE) 2010-07-28 EP disclosed
EP-2168971-A1 Fluid absorption by metal-organic frameworks BASF SE (DE) 2010-03-31 EP disclosed
EP-2049550-B1 METHOD FOR PRODUCING COPPER-CONTAINING ORGANOMETALLIC FRAMEWORK MATERIAL BASF SE (DE) 2010-01-06 EP disclosed
EP-2027307-B1 PROCESS FOR PREPARING POROUS METAL ORGANIC FRAMEWORKS BASF SE (DE) 2009-11-04 EP disclosed
EP-1888129-B1 SUSPENSION FOR REDUCING ODOURS BASF SE (DE) 2009-09-16 EP disclosed
EP-1785428-B1 Doped metal organic framework materials BASF SE (DE) 2009-03-25 EP disclosed
WO-2007128655-A1 METHOD AND DEVICE FOR PURIFYING A GAS RESERVOIR ROBERT BOSCH GMBH (DE) 2007-11-15 WO disclosed
EP-1785428-A1 Doped metal organic framework materials BASF AKTIENGESELLSCHAFT (DE) 2007-05-16 EP disclosed
EP-1702925-A1 absorption of liquids by metal organic framework materials BASF AKTIENGESELLSCHAFT (DE) 2006-09-20 EP disclosed
EP-1674555-A1 Concentration of methane in methane containing gas mixtures by adsorption BASF AKTIENGESELLSCHAFT (DE) 2006-06-28 EP disclosed