SCHEMBL1202607

SCHEMBL1202607

O=C(O)C1(C(=O)O)CCC1.O=C(O)CCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
LMNA P02545 3/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
GPR84 Q9NQS5 8/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
PTPN1 P18031 3/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
FABP4 P15090 2/20 0.44
ALOX15 P16050 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44

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
SCHEMBL28087618 0.93 TSHR (0.52) TSHRLMNANFKB1PMP22GPR84
Adipic Acid SCHEMBL27348845 0.91 LMNA (0.50) TSHRLMNANFKB1PMP22GPR84
Succinic Acid SCHEMBL28153397 0.81 CYP2C19 (0.48) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL8907359 0.80 FFAR3 (0.40) TSHRNFKB1
SCHEMBL127199 0.80 FFAR3 (0.40) TSHRNFKB1
Malonic Acid SCHEMBL7549034 0.78 LDHA (0.47) TSHRLMNAALDH1A1
Hydrochloric Acid SCHEMBL1189681 0.77 FFAR3 (0.38) TSHRNFKB1
SCHEMBL5367504 0.77 FFAR3 (0.38) TSHRNFKB1
Hydrochloric Acid SCHEMBL809129 0.77 FFAR3 (0.38) TSHRNFKB1
Bromide SCHEMBL16086037 0.77 FFAR3 (0.38) TSHRNFKB1

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 62 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
US-20140311507-A1 Porous Catalytic Matrices for Elimination of Toxicants Found in Tobacco Combustion Products MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-10-23 US claimed
EP-2739169-A2 POROUS CATALYTIC MATRICES FOR ELIMINATION OF TOXICANTS FOUND IN TOBACCO COMBUSTION PRODUCTS Massachusetts Institute Of Technology (US) 2014-06-11 EP claimed
WO-2013019865-A2 POROUS CATALYTIC MATRICES FOR ELIMINATION OF TOXICANTS FOUND IN TOBACCO COMBUSTION PRODUCTS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-02-07 WO claimed
US-10888838-B2 Porous films comprising metal-organic framework materials BASF SE (DE) 2021-01-12 US disclosed
EP-3311913-B1 POROUS FILMS COMPRISING METAL-ORGANIC FRAMEWORK MATERIALS BASF SE (DE) 2020-05-06 EP disclosed
EP-3380227-B1 PROCESS FOR PREPARATION OF A MOLDING COMPOSITION AND PRODUCTION OF SHAPED BODIES CONTAINING MOF BASF SE (DE) 2019-10-16 EP disclosed
US-10422480-B2 Storage vessel comprising a one-piece shaped body of a porous solid BASF SE (DE) 2019-09-24 US disclosed
EP-2739169-B1 POROUS CATALYTIC MATRICES FOR ELIMINATION OF TOXICANTS FOUND IN TOBACCO COMBUSTION PRODUCTS MASSACHUSETTS INST TECHNOLOGY (US) 2019-06-12 EP disclosed
EP-1687462-B1 METHOD FOR ELECTROCHEMICAL PRODUCTION OF A CRYSTALLINE POROUS METAL ORGANIC SKELETON MATERIAL FRAUNHOFER GES FORSCHUNG (DE) 2019-03-13 EP disclosed
US-10182593-B2 Porous catalytic matrices for elimination of toxicants found in tobacco combustion products MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-01-22 US disclosed
US-20180345245-A1 PROCESS FOR PREPARATION OF A MOLDING COMPOSITION AND PRODUCTION OF SHAPED BODIES BASF SE (DE) 2018-12-06 US disclosed
WO-2007128655-A1 METHOD AND DEVICE FOR PURIFYING A GAS RESERVOIR ROBERT BOSCH GMBH (DE) 2007-11-15 WO disclosed
US-20070248852-A1 Use of an electrochemically preparable porous metal-organic framework for purifying liquid and/or gas or as storage medium for liquid and/or gas; for storing and releasing energy in apparatus wherein supply of external energy is not possible by storing and releasing energy with fuel cell BASF AKTIENGESELLSCHAFT (DE) 2007-10-25 US disclosed
EP-1716157-B1 ORGANOMETALLIC FRAMEWORK MATERIAL, PREPARATION AND USE BASF AG (DE) 2007-08-22 EP disclosed
EP-1785428-A1 Doped metal organic framework materials BASF AKTIENGESELLSCHAFT (DE) 2007-05-16 EP disclosed
EP-1716157-A1 ORGANOMETALLIC FRAMEWORK MATERIAL, PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 2006-11-02 EP disclosed
EP-1674555-A1 Concentration of methane in methane containing gas mixtures by adsorption BASF AKTIENGESELLSCHAFT (DE) 2006-06-28 EP disclosed
WO-2005068474-A1 ORGANOMETALLIC FRAMEWORK MATERIAL, PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 2005-07-28 WO disclosed
US-20050154222-A1 Process for preparing an organometallic framework material BASF AKTIENGESELLSCHAFT (DE) 2005-07-14 US disclosed