SCHEMBL2429772

SCHEMBL2429772

C=C(C)C(=O)OCSCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
THRB P10828 2/20 0.43
CES2 O00748 4/20 0.40
CES1 P23141 5/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACHE P22303 1/20 0.33
FAAH O00519 4/20 0.33
PLA2G6 O60733 1/20 0.33

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
SCHEMBL11420243 0.84 TSHR (0.62) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL2435051 0.80 THRB (0.48) TSHRTHRBALDH1A1POLBHSD17B10
SCHEMBL7646477 0.77 TSHR (0.69) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL11420004 0.77 TSHR (0.69) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL491146 0.77 TSHR (0.69) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL28230575 0.75 NAAA (0.50) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL6887003 0.75 CES2 (0.53) THRBCES2CES1ALDH1A1POLB
SCHEMBL11026627 0.74 TSHR (0.59) TSHRTHRBCES2ALDH1A1POLB
SCHEMBL2432864 0.74 TSHR (0.58) TSHRTHRBCES2CES1ALDH1A1
Propionic Acid SCHEMBL28231484 0.74 ALDH1A1 (0.45) TSHRTHRBCES2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776399-B1 MONODISPERSE POLYMERS CONTAINING (ALKYL)ACRYLIC ACID MOIETIES, PRECURSORS AND METHODS FOR MAKING THEM AND THEIR APPLICATIONS UNIV GENT (BE) 2012-11-14 EP claimed
CN-107428854-A AQUEOUS EMULSION, METHOD FOR PRODUCING AQUEOUS EMULSION, AQUEOUS ADHESIVE COMPOSITION, AND ADHESIVE SHEET 昭和电工株式会社 2017-12-01 CN disclosed
EP-3018151-A1 PROCESS FOR PREPARING INERT RAFT POLYMERS Universiteit Gent (BE) 2016-05-11 EP disclosed
US-20130096268-A1 MONODISPERSE POLYMERS CONTAINING (ALKYL)ACRYLIC ACID MOIETIES, PRECURSORS AND METHODS FOR MAKING THEM AND THEIR APPLICATIONS UNIVERSITEIT GENT (BE) 2013-04-18 US disclosed
US-20130046087-A1 Substituted Cyclodextrin Derivatives Useful As Intermediates For Producing Biologically Active Materials ARCARIOS BV (NL) 2013-02-21 US disclosed
EP-2550299-A2 Substituted cyclodextrin derivatives and process for their preparation Arcarios B.V. (NL) 2013-01-30 EP disclosed
WO-2011117317-A2 SUBSTITUTED CYCLODEXTRIN DERIVATIVES USEFUL AS INTERMEDIATES FOR PRODUCING BIOLOGICALLY ACTIVE MATERIALS ARCARIOS BV (NL) 2011-09-29 WO disclosed
US-20080262160-A1 Monodisperse Polymers Containing (Alkyl)Acrylic Acid Moieties, Precursors and Methods for Making them and their Applications UNIVERSITEIT GENT (BE) 2008-10-23 US disclosed
EP-1776399-A1 MONODISPERSE POLYMERS CONTAINING (ALKYL)ACRYLIC ACID MOIETIES, PRECURSORS AND METHODS FOR MAKING THEM AND THEIR APPLICATIONS UNIVERSITEIT GENT (BE) 2007-04-25 EP disclosed
WO-2006002496-A1 MONODISPERSE POLYMERS CONTAINING (ALKYL)ACRYLIC ACID MOIETIES, PRECURSORS AND METHODS FOR MAKING THEM AND THEIR APPLICATIONS UNIVERSITEIT GENT (BE) 2006-01-12 WO disclosed