SCHEMBL996410

SCHEMBL996410

NCCC(CN)CF

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
SCHEMBL1306844 0.79
SCHEMBL6997106 0.79
SCHEMBL39985 0.79
SCHEMBL64820 0.71 GABRR1 (0.33)
SCHEMBL19500049 0.69
SCHEMBL473168 0.69 ALDH1A1 (0.42)
SCHEMBL10052100 0.69
SCHEMBL21615003 0.69
SCHEMBL28397045 0.69
SCHEMBL243606 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831372-A1 MITOGUAZONE FOR PREVENTING THE RELAPSE OR THE PROGRESSION OF MULTIPLE SCLEROSIS Pathologica LLC (US) 2021-06-09 EP disclosed
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2019-07-16 US disclosed
EP-3473247-A1 COMPOSITION FOR ORAL DELIVERY COMPRISING MGBG FOR USE IN TREATING MULTIPLE SCLEROSIS Pathologica LLC (US) 2019-04-24 EP disclosed
CN-109432073-A Purposes of the MGBG in the drug that preparation treats or prevents progressive MS and its progress 帕萨罗杰卡有限公司 2019-03-08 CN disclosed
CN-104997762-B Oral delivery drug comprising MGBG and the method for treating disease 帕萨罗杰卡有限公司 2019-03-08 CN disclosed
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA LLC 2018-12-20 US disclosed
EP-2453886-B1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2018-12-12 EP disclosed
CN-105163730-B Methods and compositions for treating demyelinating diseases 帕萨罗杰卡有限公司 2018-10-30 CN disclosed
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2018-10-02 US disclosed
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA, LLC 2017-10-12 US disclosed
CN-100582084-C Hydrophobic polyamine analogs and methods for their use MEDICKEST THERAPY CORP 2010-01-20 CN disclosed
US-7432302-B2 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
EP-1373185-A4 HYDROPHOBIC POLYAMINE ANALOGS AND METHODS FOR THEIR USE MEDIQUEST THERAPEUTICS INC (US) 2005-12-07 EP disclosed
US-6963010-B2 Anticancer agents; osteoporosis; autoimmune disease MEDIQUEST THERAPEUTICS, INC. (US) 2005-11-08 US disclosed
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2005-11-03 US disclosed
US-20050176828-A1 Hydrophobic polyamine analogs and methods for their use MEDIQUEST THERAPEUTICS, INC. (US) 2005-08-11 US disclosed
CN-1511137-A Hydrophobic polyamine analogs and methods of use thereof 麦迪凯斯特治疗学股份有限公司 2004-07-07 CN disclosed
EP-1373185-A2 HYDROPHOBIC POLYAMINE ANALOGS AND METHODS FOR THEIR USE Mediquest Therapeutics, Inc. (US) 2004-01-02 EP disclosed
US-20030187276-A1 Hydrophobic polyamine analogs and methods for their use AMINEX THERAPEUTICS, INC. 2003-10-02 US disclosed
WO-2002053519-A2 HYDROPHOBIC POLYAMINE ANALOGS AND METHODS FOR THEIR USE MEDIQUEST THERAPEUTICS, INC. (US) 2002-07-11 WO disclosed