SCHEMBL368972

SCHEMBL368972

C=C(C)C(=O)OCCO.C=C(CCCO)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
THRB P10828 1/20 0.43
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TBXAS1 P24557 2/20 0.35
ALDH1A1 P00352 2/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CAMK2A Q9UQM7 1/20 0.33
ACHE P22303 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
SCHEMBL9776625 0.95 TSHR (0.45) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4902729 0.95 THRB (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10982125 0.90 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8678908 0.90 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29516143 0.90 THRB (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL30512919 0.87 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1532811 0.87 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL6547122 0.86 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2505517 0.84 THRB (0.52) TSHRTHRBPOLBAPEX1HTT
1,6-Hexanediol SCHEMBL29137905 0.84 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT

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-20120070879-A1 REDUCTION OF ANTIBIOTIC ACTIVITY OR CONCENTRATION IN BIOLOGICAL SAMPLES USING MOLECULARLY IMPRINTED POLYMERS BECTON, DICKINSON AND COMPANY (US) 2012-03-22 US disclosed
US-20120012530-A1 MOLECULARLY IMPRINTED POLYMER ION EXCHANGE RESINS JOHNS HOPKINS UNIVERSITY (US) 2012-01-19 US disclosed
EP-1733211-B1 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS UNIV JOHNS HOPKINS (US) 2012-01-11 EP disclosed
US-8058208-B2 Beads having properly sized cavities for selective sequestering of specific inorganic ions from liquid medium; suspension copolymerization of styrene, divinylbenzene and reactive complex then removing metal ion; water clean up THE JOHNS HOPKINS UNIVERSITY (US) 2011-11-15 US disclosed
EP-1800186-B1 AN IMPRINTED POLYMER SUPPORT AGENCY SCIENCE TECH & RES (SG) 2011-05-11 EP disclosed
WO-2011014923-A1 MOLECULARLY IMPRINTED POLYMERS, METHODS FOR THEIR PRODUCTION AND USES THEREOF MONASH UNIVERSITY (AU) 2011-02-10 WO disclosed
US-20080144002-A1 Molecularly Imprinted Polymer Sensor Device JOHNS HOPKINS UNIVERSITY 2008-06-19 US disclosed
US-4424331-A Stable, anaerobically-hardening adhesives containing mixed amine oxide/HN-acidic compound initiators HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1984-01-03 US disclosed