SCHEMBL5820402

SCHEMBL5820402

C=CC(OCCCC)OC(=O)C(=C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.36
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31
PLA2G2C Q5R387 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
SCHEMBL6272793 0.95 TSHR (0.51) TSHRHPGDALDH1A1THRBPOLB
SCHEMBL18427851 0.83 THRB (0.39) TSHRALDH1A1THRB
SCHEMBL9480754 0.80 TSHR (0.40) TSHRHPGDALDH1A1HCAR2PLA2G2C
SCHEMBL19583199 0.80 TSHR (0.50) TSHRHPGDALDH1A1THRBATM
SCHEMBL196351 0.78 TSHR (0.49) TSHRHPGDALDH1A1THRBATM
SCHEMBL11665132 0.78 TSHR (0.36) TSHRALDH1A1THRB
Urea SCHEMBL28950349 0.78 TSHR (0.46) TSHRHPGDALDH1A1THRBATM
SCHEMBL18224490 0.77 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL36758 0.77 TSHR (0.47) TSHRHPGDALDH1A1THRBATM
SCHEMBL6752694 0.76 TSHR (0.40) TSHRHPGDALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170306173-A1 PRINTABLE FERROELECTRIC INK HENKEL AG & CO. KGAA (DE) 2017-10-26 US disclosed
EP-3234043-A1 A PRINTABLE FERROELECTRIC INK Henkel AG & Co. KGaA (DE) 2017-10-25 EP disclosed
WO-2016097076-A1 A PRINTABLE FERROELECTRIC INK HENKEL AG & CO. KGAA (DE) 2016-06-23 WO disclosed
WO-2006088351-A1 PROTECTIVE AGENT RSB LABORATORIUM B.V. (NL) 2006-08-24 WO disclosed
US-6537359-B1 Electromagnetic shielding layer can be thermally deformed to an elongation of at least 30% NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2003-03-25 US disclosed
EP-1058717-A1 CONDUCTIVE INK OR PAINT Acheson Colloiden B.V. (NL) 2000-12-13 EP disclosed
WO-1999045077-A1 CONDUCTIVE INK OR PAINT ACHESON COLLOIDEN B.V. (NL) 1999-09-10 WO disclosed