SCHEMBL1783415

SCHEMBL1783415

C=C(C(=O)OCCN)C(C)(C)C.C=C(C)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
THRB P10828 1/20 0.39
TSHR P16473 3/20 0.38
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL8440810 0.98 ALDH1A1 (0.47) ALDH1A1THRBTSHR
SCHEMBL1326535 0.89 ALDH1A1 (0.39) ALDH1A1THRBTSHR
SCHEMBL534164 0.88 THRB (0.34) ALDH1A1THRBTSHR
Acrylic Acid Ethyl Ester SCHEMBL14841853 0.87 ALDH1A1 (0.37) ALDH1A1THRBTSHR
Chloromethane SCHEMBL5914760 0.86 THRB (0.33) ALDH1A1THRBTSHR
SCHEMBL11101921 0.86 ALDH1A1 (0.60) ALDH1A1THRBTSHRPOLBAPEX1
Hydrochloric Acid SCHEMBL590980 0.86 THRB (0.33) ALDH1A1THRBTSHR
SCHEMBL22545152 0.81 THRB (0.57) ALDH1A1THRBTSHRPOLBAPEX1
SCHEMBL2031674 0.81
Ethylenediamine SCHEMBL17453347 0.80 ALDH1A1 (0.75) ALDH1A1THRBTSHRPOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2180998-B1 SELECTIVE HEAT-TRANSFER IMAGING SYSTEM AND METHOD OF USING THE SAME AVERY DENNISON CORP (US) 2016-01-06 EP disclosed
US-8455578-B2 Particulate polyamide, plasticizer capable of hydrogen-bonding, and binder AVERY DENNISON CORPORATION (US) 2013-06-04 US disclosed
US-8350880-B2 Selective heat-transfer imaging system and method of using the same AVERY DENNISON CORPORATION (US) 2013-01-08 US disclosed
US-7981600-B2 sample includes nucleic acid amplification/labeling/sequencing reaction mixtures; microfluidics 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-07-19 US disclosed
US-20110117359-A1 COATING COMPOSITION, COATED ARTICLE, AND RELATED METHODS AVERY DENNISON CORPORATION 2011-05-19 US disclosed
US-20100238252-A1 Selective Heat-Transfer Imaging System and Method of Using The Same AVERY DENNISON RETAIL INFORMATION SERVICES LLC 2010-09-23 US disclosed
EP-2180998-A1 SELECTIVE HEAT-TRANSFER IMAGING SYSTEM AND METHOD OF USING THE SAME Avery Dennison Corporation (US) 2010-05-05 EP disclosed
EP-2094797-A1 INK-RECEPTIVE COATING COMPOSITION Avery Dennison Corporation (US) 2009-09-02 EP disclosed
EP-1625229-B1 METHOD AND DEVICE FOR REMOVAL OF ORGANIC MOLECULES FROM BIOLOGICAL MIXTURES 3M INNOVATIVE PROPERTIES CO (US) 2009-04-15 EP disclosed
WO-2009014701-A1 SELECTIVE HEAT-TRANSFER IMAGING SYSTEM AND METHOD OF USING THE SAME AVERY DENNISON CORPORATION (US) 2009-01-29 WO disclosed
US-20080188599-A1 Ink-receptive coating composition CCL LABEL, INC. 2008-08-07 US disclosed
WO-2008070029-A1 INK-RECEPTIVE COATING COMPOSITION AVERY DENNISON CORPORATION (US) 2008-06-12 WO disclosed
EP-1625229-A1 METHOD AND DEVICE FOR REMOVAL OF ORGANIC MOLECULES FROM BIOLOGICAL MIXTURES 3M Innovative Properties Company (US) 2006-02-15 EP disclosed
WO-2004094672-A1 METHODS AND DEVICES FOR REMOVAL OF ORGANIC MOLECULES FROM BIOLOGICAL MIXTURES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-04 WO disclosed
US-20040209258-A1 Methods and devices for removal of organic molecules from biological mixtures using an anion exchange material that includes a polyoxyalkylene 3M INNOVATIVE PROPERTIES COMPANY 2004-10-21 US disclosed