SCHEMBL174801

SCHEMBL174801

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])I

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL2807684 0.79
SCHEMBL508798 0.70
SCHEMBL6561040 0.69
Butane SCHEMBL16500599 0.67
SCHEMBL508125 0.65
Hexadecane SCHEMBL12473013 0.64
SCHEMBL31135792 0.64
SCHEMBL31135791 0.64
Decane SCHEMBL29555442 0.64
Pentane SCHEMBL7259903 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462405-B Preparation method and application of deuterium-labeled sphingosine compound and deuterium-labeled ceramide compound 天津阿尔塔科技有限公司 2025-05-27 CN disclosed
CN-119462354-B Alkyl chain end deuterium labeled fatty aldehyde compound and preparation method and application thereof 天津阿尔塔科技有限公司 2025-05-27 CN disclosed
CN-119462405-A Preparation method and application of deuterium-labeled sphingosine compound and deuterium-labeled ceramide compound 天津阿尔塔科技有限公司 2025-02-18 CN disclosed
CN-119462354-A Alkyl chain end deuterium labeled fatty aldehyde compound and preparation method and application thereof 天津阿尔塔科技有限公司 2025-02-18 CN disclosed
US-10799492-B2 Deuterated analogs of pridopidine useful as dopaminergic stabilizers PRILENIA NEUROTHERAPEUTICS LTD. (IL) 2020-10-13 US disclosed
US-20190015401-A1 DEUTERATED ANALOGS OF PRIDOPIDINE USEFUL AS DOPAMINERGIC STABILIZERS TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2019-01-17 US disclosed
US-20180235950-A1 DEUTERATED ANALOGS OF PRIDOPIDINE USEFUL AS DOPAMINERGIC STABILIZERS TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2018-08-23 US disclosed
US-20160166559-A1 DEUTERATED ANALOGS OF PRIDOPIDINE USEFUL AS DOPAMINERGIC STABILIZERS TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2016-06-16 US disclosed
US-20160095847-A1 DEUTERATED ANALOGS OF PRIDOPIDINE USEFUL AS DOPAMINERGIC STABILIZERS TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2016-04-07 US disclosed
US-20130197031-A1 DEUTERATED ANALOGS OF PRIDOPIDINE USEFUL AS DOPAMINERGIC STABILIZERS IVAX International GmbH (CH) 2013-08-01 US disclosed
EP-2611759-A1 DEUTERATED ANALOGS OF PRIDOPIDINE USEFUL AS DOPAMINERGIC STABILIZERS IVAX INTERNATIONAL GMBH (CH) 2013-07-10 EP disclosed
EP-2367786-B1 NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2013-01-09 EP disclosed
WO-2012028635-A1 DEUTERATED ANALOGS OF PRIDOPIDINE USEFUL AS DOPAMINERGIC STABILIZERS NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-03-08 WO disclosed
US-20110257148-A1 NOVEL 1-ALKYL-3-HYDROXY-3-PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-10-20 US disclosed
US-20110257242-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-10-20 US disclosed
EP-2367788-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-09-28 EP disclosed
EP-2367786-A1 NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-09-28 EP disclosed
WO-2010058019-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-05-27 WO disclosed
WO-2010058020-A1 NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-05-27 WO disclosed
US-20100075935-A1 XANTHINE MODULATORS OF ADENOSINE A1 RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed