SCHEMBL2641114

SCHEMBL2641114

C=C(C)C(=O)OCCCC=CF

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
TSHR P16473 6/20 0.53
ALDH1A1 P00352 6/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FAAH O00519 2/20 0.33
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 2/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NR1I2 O75469 1/20 0.30
PGR P06401 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
PTGS2 P35354 1/20 0.30
PDE4D Q08499 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
SCHEMBL457007 0.84 TSHR (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3447718 0.83 THRB (0.40) THRBTSHRALDH1A1
SCHEMBL15062349 0.82 TSHR (0.58) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL23754643 0.81 TSHR (0.60) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28570840 0.81 TSHR (0.51) THRBTSHRALDH1A1POLBAPEX1
Bicarbonate SCHEMBL27518161 0.81 TSHR (0.51) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1949649 0.79 TSHR (0.58) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5248589 0.79 TSHR (0.58) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9808658 0.79 TSHR (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4398621 0.79 TSHR (0.74) THRBTSHRPOLBAPEX1TDP1

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
EP-1556329-B1 USE OF ANTIFOULANT POLYMERS IN (METH)ACRYLIC ACID PROCESSES NALCO ENERGY SERVICES LP (US) 2017-10-18 EP claimed
JP-4741235-B2 2011-08-03 JP claimed
EP-1556329-A4 COMPOSITION AND METHOD FOR PREVENTING FOULING IN (METH)ACRYLIC ACID PROCESSES NALCO ENERGY SERVICES LP (US) 2008-04-16 EP claimed
US-6770219-B2 USING ACRYLATE OR ACRYLAMIDE POLYMERS NALCO ENERGY SERVICES 2004-08-03 US claimed
WO-2004035516-A1 COMPOSITION AND METHOD FOR PREVENTING FOULING IN (METH)ACRYLIC ACID PROCESSES NALCO ENERGY SERVICES, L.P. (US) 2004-04-29 WO claimed
US-20040072974-A1 COMPOSITION AND METHOD FOR PREVENTING FOULING IN (METH)ACRYLIC ACID PROCESSES ECOLAB USA INC. 2004-04-15 US claimed
US-9879153-B2 Anti-icing composite WANG LIANG (US) 2018-01-30 US disclosed
EP-1556329-B1 USE OF ANTIFOULANT POLYMERS IN (METH)ACRYLIC ACID PROCESSES NALCO ENERGY SERVICES LP (US) 2017-10-18 EP disclosed
US-20160009971-A1 Anti-Icing Composite WANG LIANG (US) 2016-01-14 US disclosed
EP-1556329-A4 COMPOSITION AND METHOD FOR PREVENTING FOULING IN (METH)ACRYLIC ACID PROCESSES NALCO ENERGY SERVICES LP (US) 2008-04-16 EP disclosed
EP-1556329-A1 COMPOSITION AND METHOD FOR PREVENTING FOULING IN (METH)ACRYLIC ACID PROCESSES Nalco Energy Services, L.P. (US) 2005-07-27 EP disclosed
US-6770219-B2 USING ACRYLATE OR ACRYLAMIDE POLYMERS NALCO ENERGY SERVICES 2004-08-03 US disclosed
WO-2004035516-A1 COMPOSITION AND METHOD FOR PREVENTING FOULING IN (METH)ACRYLIC ACID PROCESSES NALCO ENERGY SERVICES, L.P. (US) 2004-04-29 WO disclosed
US-20040072974-A1 COMPOSITION AND METHOD FOR PREVENTING FOULING IN (METH)ACRYLIC ACID PROCESSES ECOLAB USA INC. 2004-04-15 US disclosed