SCHEMBL213952

SCHEMBL213952

C1CCOOC1.Cc1cc(C)cc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
ACHE P22303 2/20 0.33
HPGD P15428 1/20 0.32
TPMT P51580 1/20 0.32
OPRM1 P35372 1/20 0.31
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
C1S P09871 1/20 0.31
PRSS3 P35030 1/20 0.31
LMNA P02545 2/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
SELL P14151 1/20 0.30
SELP P16109 1/20 0.30
SELE P16581 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
Tetrahydrofuran SCHEMBL28161889 0.81 ALDH1A1 (0.50) ALDH1A1TSHRACHEHPGDTPMT
Cyclohexane SCHEMBL1452174 0.75 ALDH1A1 (0.53) ALDH1A1TSHRACHEHPGDTPMT
Cyclopentane SCHEMBL29049188 0.75 ALDH1A1 (0.53) ALDH1A1TSHRACHEHPGDTPMT
Fluoride SCHEMBL28484697 0.75 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTPRSS1
Toluene SCHEMBL735933 0.75 ACHE (0.58) ALDH1A1TSHRACHEHPGDCA1
Dioxane SCHEMBL3458161 0.73 ALDH1A1 (0.44) ALDH1A1TSHRACHEHPGDTPMT
Ethane SCHEMBL25176936 0.71
SCHEMBL145743 0.71
SCHEMBL341533 0.71 ALDH1A1 (0.67) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL285 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209150-A1 PREPARATION METHOD OF A HIGH-ENTROPY COVALENT ORGANIC FRAMEWORK COMPOUND CHINA THREE GORGES UNIVERSITY (CN) 2024-06-27 US disclosed
WO-2024100209-A1 NOVEL ALL-SOLID-STATE ELECTROLYTES BASED ON ORGANOBORON COVALENT ORGANIC NETWORKS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-05-16 WO disclosed
US-11213800-B2 Covalent organic framework films, and methods of making and uses of same CORNELL UNIVERSITY (US) 2022-01-04 US disclosed
US-10266634-B2 Chemically stable hollow spherical COF and synthesis thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-04-23 US disclosed
US-20140037944-A1 COVALENT ORGANIC FRAMEWORK FILMS, AND METHODS OF MAKING AND USES OF SAME CORNELL UNIVERSITY (US) 2014-02-06 US disclosed
EP-1802732-B1 COVALENTLY LINKED ORGANIC FRAMEWORKS AND POLYHEDRA UNIV MICHIGAN (US) 2012-07-11 EP disclosed
WO-2012037090-A2 COVALENT ORGANIC FRAMEWORK FILMS, AND METHODS OF MAKING AND USES OF SAME CORNELL UNIVERSITY (US) 2012-03-22 WO disclosed
US-8088356-B2 Metal cation-doped covalent organic framework derivatives for hydrogen storage and method of using the same KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-01-03 US disclosed
US-20110236301-A1 Metal cation-doped covalent organic framework derivatives for hydrogen storage and method of using the same KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-09-29 US disclosed
US-7582798-B2 organoboron polymers with polyphenyl resins; boron-containing clusters linked together by a plurality of linking groups; lightweight, crystalline, or semi-crystalline bulk products for gas storage, gas adsorption THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-09-01 US disclosed
EP-1802732-A4 COVALENTLY LINKED ORGANIC FRAMEWORKS AND POLYHEDRA UNIV MICHIGAN (US) 2007-11-28 EP disclosed
EP-1802732-A2 COVALENTLY LINKED ORGANIC FRAMEWORKS AND POLYHEDRA THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-07-04 EP disclosed
US-20060154807-A1 Covalently linked organic frameworks and polyhedra THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2006-07-13 US disclosed
WO-2006047423-A2 COVALENTLY LINKED ORGANIC FRAMEWORKS AND POLYHEDRA THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-05-04 WO disclosed