SCHEMBL1245587

SCHEMBL1245587

C=C(C)C(=O)OCC(C)(C)CN(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.35
PAX8 Q06710 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
SCHEMBL10965558 0.87 TSHR (0.41) THRBTSHRALDH1A1
SCHEMBL372793 0.82 TSHR (0.41) THRBTSHRALDH1A1
SCHEMBL10917353 0.82 TSHR (0.36) THRBTSHRALDH1A1
SCHEMBL15337 0.81 TSHR (0.50) THRBTSHRALDH1A1
SCHEMBL6716655 0.80 THRB (0.47) THRBTSHRALDH1A1
SCHEMBL23494248 0.77 TSHR (0.47) THRBTSHRALDH1A1
SCHEMBL373277 0.76 ALDH1A1 (0.46) THRBTSHRALDH1A1PAX8
SCHEMBL9576258 0.76 THRB (0.47) THRBTSHRALDH1A1
SCHEMBL27278 0.76 TSHR (0.45) THRBTSHRALDH1A1
SCHEMBL8773894 0.76 THRB (0.57) THRBTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103118668-B Adhesive purposes in preparing stable in storage preparation 欧洲凯尔特公司 2016-07-06 CN disclosed
WO-2014108192-A1 ELECTRONIC DEVICE UNIT BEING EQUIPPED ON THE OUTSIDE WITH A COATING LAYER COMPRISING A CATIONIC (METH)ACRYLATE COPOLYMER EVONIK INDUSTRIES AG (DE) 2014-07-17 WO disclosed
CN-103118668-A Use of binders for manufacturing storage stable formulations EURO CELTIQUE SA 2013-05-22 CN disclosed
EP-2459634-A1 POWDERY OR GRANULATED COMPOSITION COMPRISING A COPOLYMER, A DICARBOXYLIC ACID AND A FATTY MONOCARBOXYLIC ACID Evonik Röhm GmbH (DE) 2012-06-06 EP disclosed
WO-2011012161-A1 POWDERY OR GRANULATED COMPOSITION COMPRISING A COPOLYMER, A DICARBOXYLIC ACID AND A FATTY MONOCARBOXYLIC ACID EVONIK RÖHM GMBH (DE) 2011-02-03 WO disclosed
US-4705695-A AMMONIUM SALT OF TERTIARY AMINE SUBSTITUTED ACRYLIC POLYMER ROHM GMBH CHEMISCHE FABRIK (DE) 1987-11-10 US disclosed