SCHEMBL373277

SCHEMBL373277

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRB P10828 1/20 0.42
TSHR P16473 7/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.37
PAX8 Q06710 1/20 0.33

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
SCHEMBL11096298 0.85 ALDH1A1 (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL222072 0.82 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL262028 0.81 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL1353827 0.80 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL31232973 0.78 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL18071331 0.78 ALDH1A1 (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL18495622 0.77 TSHR (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
Propanol SCHEMBL7030793 0.77 ALDH1A1 (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL1245587 0.76 THRB (0.41) ALDH1A1THRBTSHRPAX8
SCHEMBL230726 0.76 ALDH1A1 (0.64) ALDH1A1TP53HIF1ACYP3A4MAPK1

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576255-B1 Injection molding method for (meth)acrylate copolymers having tertiary ammonium groups ROEHM GMBH & CO. KG (DE) 2003-06-10 US claimed
US-20220287345-A1 SOLUBILITY ENHANCEMENT OF POORLY SOLUBLE ACTIVES EVONIK OPERATIONS GMBH (DE) 2022-09-15 US disclosed
EP-4009961-A1 SOLUBILITY ENHANCEMENT OF POORLY SOLUBLE ACTIVES Evonik Operations GmbH (DE) 2022-06-15 EP disclosed
WO-2021023857-A1 SOLUBILITY ENHANCEMENT OF POORLY SOLUBLE ACTIVES EVONIK OPERATIONS GMBH (DE) 2021-02-11 WO disclosed
US-20190224130-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING HYDROMORPHONE AND NALOXONE PURDUE PHARMA (CA) 2019-07-25 US disclosed
EP-3505162-A1 USE OF BINDERS FOR MANUFACTURING STORAGE STABLE FORMULATIONS Euro-Celtique S.A. (LU) 2019-07-03 EP disclosed
US-10113050-B2 Powdery or granulated composition comprising a copolymer, a dicarboxylic acid and a fatty monocarboxylic acid EVONIK ROEHM GMBH (DE) 2018-10-30 US disclosed
EP-2568967-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING HYDROMORPHONE AND NALOXONE EURO CELTIQUE SA (LU) 2018-10-24 EP disclosed
EP-2603205-B1 USE OF BINDERS FOR MANUFACTURING STORAGE STABLE FORMULATIONS EURO CELTIQUE SA (LU) 2018-10-03 EP disclosed
EP-2568964-B1 PHARMACEUTICAL DOSAGE FORM COMPRISING ONE OR MORE ANTIRETROVIRAL ACTIVE INGREDIENTS EVONIK ROEHM GMBH (DE) 2018-08-01 EP disclosed
US-20050281871-A1 Methods for coating substrates for pharmaceutical uses with a mixture of two film-forming coating agents ROEHM GMBH & CO. KG (DE) 2005-12-22 US disclosed
US-20050271778-A1 Method for producing coated pharmaceuticals and food supplements with concentration gradients in the coating thereof ROEHM GMBH & CO., KG (DE) 2005-12-08 US disclosed
US-20050142174-A1 Adhesive and binding agent for dermal or transdermal treatment systems ROEHM GMBH & CO. KG 2005-06-30 US disclosed
US-20050019381-A1 Binding agent which is stable in storage and used for pharmaceutical applications ROEHM GMBH & CO. KG (DE) 2005-01-27 US disclosed
US-6846891-B2 Coating and binding agent for oral or dermal pharmaceutical forms ROEHM GMBH & CO. KG (DE) 2005-01-25 US disclosed
US-20040247687-A1 Method for production of active ingredient-containing pellets ROEHM GMBH & CO. KG (DE) 2004-12-09 US disclosed
US-20030220413-A1 Coating and binding agent for oral or dermal pharmaceutical forms ROEHM GMBH & CO. KG (DE) 2003-11-27 US disclosed
US-6624210-B1 (Meth)acrylate ester copolymer with (meth)acrylate containing tertiary amine group, plasticizer, and emulsifier; powders, pastes, aqueous suspension; encapsulation; drug delivery ROEHM GMBH & CO. KG (DE) 2003-09-23 US disclosed
US-6576255-B1 Injection molding method for (meth)acrylate copolymers having tertiary ammonium groups ROEHM GMBH & CO. KG (DE) 2003-06-10 US disclosed
US-4705695-A AMMONIUM SALT OF TERTIARY AMINE SUBSTITUTED ACRYLIC POLYMER ROHM GMBH CHEMISCHE FABRIK (DE) 1987-11-10 US disclosed