SCHEMBL377102

SCHEMBL377102

O=C(O)OC1(OC(=O)O)CCOCC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL8641822 0.81 FFAR3 (0.32)
SCHEMBL1122560 0.81 FFAR3 (0.32)
SCHEMBL8864065 0.78
SCHEMBL1743560 0.76
SCHEMBL7057969 0.76 CYP2C19 (0.32)
SCHEMBL8655575 0.75 CYP3A4 (0.35)
SCHEMBL6679592 0.74 CYP2C19 (0.36)
SCHEMBL13728510 0.72
SCHEMBL8644318 0.70
SCHEMBL8654680 0.70 ALDH1A1 (0.44)

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 84 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-2408536-A1 METHOD FOR SEPARATING ACID GASES USING METAL-ORGANIC FRAMEWORKS IMPREGNATED WITH AMINES BASF SE (DE) 2012-01-25 EP disclosed
EP-0678091-B1 METHOD OF PREPARING TETRAHYDROPYRAN-4-CARBOXYLIC ACID AND ITS ESTERS BASF AG (DE) 1996-11-06 EP disclosed
EP-0546396-B1 Method for the preparation of 4-hydroxymethyltetrahydropyrans BASF AG (DE) 1996-02-28 EP disclosed
EP-0549898-B1 Method for the preparation of primaryl alcohols BASF AG (DE) 1996-02-07 EP disclosed
EP-0678091-A1 METHOD OF PREPARING TETRAHYDROPYRAN-4-CARBOXYLIC ACID AND ITS ESTERS. BASF AG (DE) 1995-10-25 EP disclosed
WO-1994015931-A1 METHOD OF PREPARING TETRAHYDROPYRAN-4-CARBOXYLIC ACID AND ITS ESTERS BASF AKTIENGESELLSCHAFT (DE) 1994-07-21 WO disclosed
EP-0549898-A1 Method for the preparation of primaryl alcohols BASF Aktiengesellschaft (DE) 1993-07-07 EP disclosed
EP-0546409-A1 Method for the preparation of tetrahydropyrancarboxylic esters BASF Aktiengesellschaft (DE) 1993-06-16 EP disclosed
EP-0546396-A1 Method for the preparation of 4-hydroxymethyltetrahydropyrans BASF Aktiengesellschaft (DE) 1993-06-16 EP disclosed
EP-0284969-B1 PROCESS FOR THE PREPARATION OF TETRAHYDROPYRAN-4-CARBOXYLIC ACID ESTERS BASF Aktiengesellschaft (DE) 1990-11-28 EP disclosed
EP-0284969-A2 Process for the preparation of tetrahydropyran-4-carboxylic acid esters BASF Aktiengesellschaft (DE) 1988-10-05 EP disclosed