SCHEMBL2459068

SCHEMBL2459068

C=C(C)COC(C)OC(=O)CCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
SLC22A6 Q4U2R8 1/20 0.35
LMNA P02545 5/20 0.35
CYP1A2 P05177 3/20 0.31
PAM P19021 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 3/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
GMNN O75496 1/20 0.31
HSP90AA1 P07900 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
TP53 P04637 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
AKR1B1 P15121 1/20 0.31
NFKB1 P19838 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
SCHEMBL40322 0.86 LMNA (0.33) TSHRLMNA
SCHEMBL1779515 0.79 TSHR (0.44) TSHRSLC22A6LMNACYP1A2ALDH1A1
SCHEMBL27710497 0.77 TSHR (0.46) TSHRSLC22A6LMNACYP1A2ALDH1A1
SCHEMBL2304455 0.76 LMNA (0.47) TSHRSLC22A6LMNACYP1A2ALDH1A1
SCHEMBL1336208 0.76 MGAM (0.40)
SCHEMBL2148441 0.75 TSHR (0.52) TSHRSLC22A6LMNAPAMALDH1A1
SCHEMBL28959487 0.75 TSHR (0.40) TSHRSLC22A6LMNACYP1A2ALDH1A1
SCHEMBL10594433 0.75 TSHR (0.33) TSHR
SCHEMBL2306638 0.75 LMNA (0.50) TSHRSLC22A6LMNAALDH1A1MAPK1
SCHEMBL5969501 0.75 MGAM (0.39)

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-8357540-B2 For immobilization of amines such as an amino-containing analyte, amino acid, DNA, RNA, protein, cell, tissue, organelle, immunoglobin, or fragment; acrylic ester or amide polymers with pendant fluoroalkoxycarbonyl groups; useful in the medical diagnosis of a disease or of a genetic defect 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-01-22 US disclosed
EP-1699790-B1 SOLUBLE POLYMERS AS AMINE CAPTURE AGENTS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2012-09-05 EP disclosed
EP-1700107-B1 ACOUSTIC SENSORS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2011-09-14 EP disclosed
EP-2104689-B1 POLYMERIC SUBSTRATES WITH FLUOROALKOXYCARBONYL GROUPS FOR AMINE CAPTURE 3M INNOVATIVE PROPERTIES CO (US) 2010-05-05 EP disclosed
EP-2104689-A1 POLYMERIC SUBSTRATES WITH FLUOROALKOXYCARBONYL GROUPS FOR AMINE CAPTURE 3M Innovative Properties Company (US) 2009-09-30 EP disclosed
WO-2008079605-A1 POLYMERIC SUBSTRATES WITH FLUOROALKOXYCARBONYL GROUPS FOR AMINE CAPTURE 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-07-03 WO disclosed
US-20080153175-A1 POLYMERIC SUBSTRATES WITH FLUOROALKOXYCARBONYL GROUPS FOR AMINE CAPTURE 3M INNOVATIVE PROPERTIES COMPANY 2008-06-26 US disclosed
US-7342082-B2 Soluble polymers as amine capture agents and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-03-11 US disclosed
WO-2005066092-A9 ACOUSTIC SENSORS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2006-09-14 WO disclosed
EP-1699790-A2 SOLUBLE POLYMERS AS AMINE CAPTURE AGENTS AND METHODS 3M Innovative Properties Company (US) 2006-09-13 EP disclosed
EP-1700107-A2 ACOUSTIC SENSORS AND METHODS 3M Innovative Properties Company (US) 2006-09-13 EP disclosed
US-20060135718-A1 Soluble polymers as amine capture agents and methods 3M INNOVATIVE PROPERTIES COMPANY 2006-06-22 US disclosed
WO-2005065370-A2 SOLUBLE POLYMERS AS AMINE CAPTURE AGENTS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 WO disclosed
WO-2005066092-A2 ACOUSTIC SENSORS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 WO disclosed