SCHEMBL5836895

SCHEMBL5836895

C=C(C)C(=O)OCCCCCC[CH]CCCCCCOC(=O)C(=C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.67
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
THRB P10828 1/20 0.48
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 2/20 0.41
NAAA Q02083 1/20 0.34
FAAH O00519 1/20 0.34
HPGD P15428 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX1 P07099 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9170446 1.00 TSHR (0.67) TSHRPOLBAPEX1HTTTDP1
SCHEMBL8699776 1.00 TSHR (0.67) TSHRPOLBAPEX1HTTTDP1
SCHEMBL27900968 0.93 TSHR (0.80) TSHRPOLBAPEX1HTTTDP1
SCHEMBL27932128 0.93 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL23754643 0.92 TSHR (0.60) TSHRPOLBAPEX1HTTTDP1
SCHEMBL27883678 0.91 TSHR (0.77) TSHRPOLBAPEX1HTTTDP1
SCHEMBL27788183 0.91 TSHR (0.66) TSHRPOLBAPEX1HTTTDP1
SCHEMBL27971664 0.91 TSHR (0.66) TSHRPOLBAPEX1HTTTDP1
SCHEMBL5686970 0.90 TSHR (0.74) TSHRPOLBAPEX1HTTTDP1
SCHEMBL5686979 0.90 TSHR (0.74) TSHRPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7081280-B2 Used for electro-optical purposes, and to displays MERCK PATENT GMBH (DE) 2006-07-25 US disclosed
US-7033654-B2 mixture of polar compounds of positive dielectric anisotropy in matrix liquid-crystal displays; broad nematic phases, low birefringence, very high specific resistance, good UV and temperature stability and low vapor pressure MERCK PATENT GMBH (DE) 2006-04-25 US disclosed
US-7026020-B2 Mixture of polar compounds; positive dielectric anisotropy; electrooptic display MERCK PATENT GMBH (DE) 2006-04-11 US disclosed
US-6953610-B2 A mixture of halogenated cyclohexylene compounds, positive dielectric anisotropy, birefringence, chemical and heat resistance, low viscosity, stability to electromagnetic radiation, low voltages and high contrast; electrooptic displays MERCK PATENT GMBH (DE) 2005-10-11 US disclosed
US-6951669-B2 Mixture of crystal structured halogenated compounds and carbocyclic esters, used as displays in electro-optical apparatus MERCK PATENT GMBH (DE) 2005-10-04 US disclosed
US-20050035329-A1 for twisted nematic (TN) and supertwisted nematic (STN) liquid-crystal displays having very short response times and good steepnesses and angle dependencies HECKMEIER MICHAEL (DE) 2005-02-17 US disclosed
US-20050035330-A1 A mixture of halogenated cyclohexylene compounds, positive dielectric anisotropy, birefringence, chemical and heat resistance, low viscosity, stability to electromagnetic radiation, low voltages and high contrast; electrooptic displays HECKMEIER MICHAEL (DE) 2005-02-17 US disclosed
US-20050006437-A1 Liquid-crystalline medium HECKMEIR MICHAEL (DE) 2005-01-13 US disclosed
US-20040251447-A1 Mixture of polar compounds; positive dielectric anisotropy; electrooptic display HECKMEIER MICHAEL (DE) 2004-12-16 US disclosed
US-20040245501-A1 Mixture of crystal structured halogenated compounds and carbocyclic esters, used as displays in electro-optical apparatus HECKMEIER MICHAEL (DE) 2004-12-09 US disclosed
US-6793983-B1 Liquid crystal medium MERCK PATENT GMBH (DE) 2004-09-21 US disclosed
US-6287648-B1 MIXTURE OF POLAR COMPOUNDS HAVING POSITIVE DIELECTRIC ANISTROPY MERCK PATENT GESELLSCHAFT MIT (DE) 2001-09-11 US disclosed
US-6146719-A AN ELECTRO-OPTICAL LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHATF MIT BESCHRANKTER HAFTUNG (DE) 2000-11-14 US disclosed