SCHEMBL1345248

SCHEMBL1345248

C=C(C)C(=O)OC.CCCCC=C(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TSHR P16473 3/20 0.41
EP300 Q09472 1/20 0.40
GRIK1 P39086 1/20 0.36
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL6677409 0.95 ALDH1A1 (0.44) ALDH1A1TSHREP300GRIK1CYP2D6
SCHEMBL8943417 0.94 EP300 (0.49) ALDH1A1TSHREP300CYP2C19
SCHEMBL31036754 0.94 EP300 (0.49) ALDH1A1TSHREP300CYP2C19
SCHEMBL8764410 0.92 ALDH1A1 (0.41) ALDH1A1TSHREP300GRIK1CYP2D6
Methacrylic Acid SCHEMBL27825741 0.89 ALDH1A1 (0.41) ALDH1A1TSHREP300GRIK1CYP2D6
SCHEMBL17749039 0.87 ALDH1A1 (0.42) ALDH1A1TSHREP300GRIK1
Methacrylic Acid SCHEMBL5086093 0.86 EP300 (0.47) ALDH1A1TSHREP300GRIK1CYP2C19
Methacrylic Acid SCHEMBL2025011 0.86 EP300 (0.47) ALDH1A1TSHREP300GRIK1CYP2C19
Methacrylic Acid SCHEMBL6425463 0.86 EP300 (0.47) ALDH1A1TSHREP300GRIK1CYP2C19
SCHEMBL28347532 0.84 TSHR (0.58) ALDH1A1TSHREP300GRIK1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062882-A1 ULTRAHIGH MOLECULAR WEIGHT BLOCK COPOLYMERS AND POLYMERS, METHODS OF MAKING SAME, AND USES OF SAME NATIONAL SCIENCE FOUNDATION 2020-02-27 US disclosed
US-8063125-B2 Phthalate-free; aryl alkylsulfonate (phenyl C12-C20-alkylsulfonate) and diol dibenzoate or dibenzyl dicarboxylate such as dibenzyl adipate; plasticizer in plastics LANXESS DEUTSCHLAND GMBH (DE) 2011-11-22 US disclosed
US-20090197998-A1 FAST-GELLING PLASTICIZER PREPARATIONS LANXESS DEUTSCHLAND GMBH (DE) 2009-08-06 US disclosed
US-6515088-B2 Contacting a mixture of (a) a living free radical initiator having the formula R-(O-O-B-phi 1(- phi 2))n, wherein n is 1-4, R is hydrogen or alkyl or cyclic alkyl, phi 1 and 2 are aryl radical or bridged, and a monomer to produce a polymer THE PENN STATE RESEARCH FOUNDATION 2003-02-04 US disclosed
US-20020198338-A1 \"Living\" free radical polymerization process CHUNG TZE-CHIANG (US) 2002-12-26 US disclosed
US-6420502-B1 BASED ON ALKYLPEROXYDIARYLBORANE AND DERIVATIVES, SUCH AS 1-ALKYLPEROXY-2,3;5,6-DIBENZOBORINE OR ALKYLPEROXYDIMESITYLBORANE; NARROW MOLECULAR WEIGHT DISTRIBUTION; BLOCK POLYMERS; STAR POLYMERS THE PENN STATE RESEARCH FOUNDATION 2002-07-16 US disclosed
US-20020091211-A1 Living free radical initiators based on alkylperoxydiarylborane derivatives and living free radical polymerization process NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2002-07-11 US disclosed
WO-1997034478-A1 INSECTICIDAL COMPOSITION AND METHOD FOR PREPARING SAME VIRBAC (FR) 1997-09-25 WO disclosed