SCHEMBL495772

SCHEMBL495772

C=CC(=O)OCC(C)OC(=O)CCCCCBr

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 4/20 0.39
HPGD P15428 1/20 0.37
PRKCA P17252 2/20 0.36
PRKCE Q02156 2/20 0.36
PRKCQ Q04759 2/20 0.36
PRKCD Q05655 2/20 0.36

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
SCHEMBL10033251 1.00 TSHR (0.53) TSHRALDH1A1MAPTCYP3A4LMNA
SCHEMBL19717885 0.83 LMNA (0.49) TSHRALDH1A1MAPTLMNAHPGD
SCHEMBL17696343 0.80 TSHR (0.58) TSHRALDH1A1MAPTCYP3A4LMNA
SCHEMBL2065282 0.80 TSHR (0.58) TSHRALDH1A1CYP3A4HPGD
SCHEMBL8906616 0.80 TSHR (0.46) TSHRALDH1A1MAPTCYP3A4LMNA
SCHEMBL23647296 0.80 TSHR (0.52) TSHRALDH1A1MAPTCYP3A4LMNA
SCHEMBL19064328 0.79 TSHR (0.56) TSHRALDH1A1CYP3A4HPGD
SCHEMBL8906617 0.79 TSHR (0.45) TSHRALDH1A1MAPTCYP3A4LMNA
SCHEMBL13397834 0.78 TSHR (0.63) TSHRALDH1A1MAPTCYP3A4HPGD
SCHEMBL10033253 0.78 HDAC1 (0.42) TSHRALDH1A1CYP3A4

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
US-8105662-B2 Additive components for liquid crystalline materials ROLIC AG (CH) 2012-01-31 US disclosed
US-8105662-B2 Additive components for liquid crystalline materials ROLIC AG (CH) 2012-01-31 US disclosed
US-8105662-B2 Additive components for liquid crystalline materials ROLIC AG (CH) 2012-01-31 US disclosed
EP-1689827-B1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS ROLIC AG (CH) 2008-07-09 EP disclosed
EP-1689827-B1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS ROLIC AG (CH) 2008-07-09 EP disclosed
US-20070257230-A1 Additive Components for Liquid Crystalline Materials ROLIC AG (CH) 2007-11-08 US disclosed
US-20070257230-A1 Additive Components for Liquid Crystalline Materials ROLIC AG (CH) 2007-11-08 US disclosed
US-20070257230-A1 Additive Components for Liquid Crystalline Materials ROLIC AG (CH) 2007-11-08 US disclosed
EP-1689827-A1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS Rolic AG (CH) 2006-08-16 EP disclosed
WO-2005054406-A1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS ROLIC AG (CH) 2005-06-16 WO disclosed