SCHEMBL6538696

SCHEMBL6538696

NCC1C=CCCC1

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
SCHEMBL14363844 1.00
SCHEMBL11691199 0.93
SCHEMBL24106571 0.88
SCHEMBL6828333 0.84
Hydrochloric Acid SCHEMBL11685859 0.82
SCHEMBL1306660 0.81
SCHEMBL2866356 0.79
SCHEMBL8199466 0.79 USP2 (0.33)
SCHEMBL11330512 0.77
SCHEMBL7486852 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100535040-C Oxygen scavenger for reducing oxidation products of plastic film and beverage and food container CHEVRON PHILIPS CHEMICAL CO SE (US) 2009-09-02 CN claimed
CN-1515608-A Oxygen scavenger for reducing oxidation products of plastic film and beverage and food container �з��ﰺ�����ջ�ѧ�������ι�˾ 2004-07-28 CN claimed
CN-1301280-A Oxygen scavenger for reducing oxidation products for plastic films and beverage and food containers CHEVRON CHEM CO (US) 2001-06-27 CN claimed
US-20140235548-A1 COMPOSITIONS AND METHODS FOR JAMM PROTEIN INHIBITION CLEAVE BIOSCIENCES, INC. (US) 2014-08-21 US disclosed
US-20140235548-A1 COMPOSITIONS AND METHODS FOR JAMM PROTEIN INHIBITION CLEAVE BIOSCIENCES, INC. (US) 2014-08-21 US disclosed
WO-2012158435-A1 COMPOSITIONS AND METHODS FOR JAMM PROTEIN INHIBITION ZHOU HAN-JIE (US) 2012-11-22 WO disclosed
EP-2316829-A1 Heterocyclic derivatives as modulators of ion channels Vertex Pharmaceuticals Incorporated (US) 2011-05-04 EP disclosed
CN-100535040-C Oxygen scavenger for reducing oxidation products of plastic film and beverage and food container CHEVRON PHILIPS CHEMICAL CO SE (US) 2009-09-02 CN disclosed
WO-2005058298-A2 FK228 ANALOGS AND THEIR USE AS HDAC-INHIBITORS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-06-30 WO disclosed
CN-1515608-A Oxygen scavenger for reducing oxidation products of plastic film and beverage and food container �з��ﰺ�����ջ�ѧ�������ι�˾ 2004-07-28 CN disclosed
EP-1381593-A2 (2-HYDROXY)ETHYL-THIOUREAS USEFUL AS MODULATORS OF ALPHA2B ADRENERGIC RECEPTORS Allergan, Inc. (US) 2004-01-21 EP disclosed
US-6254804-B1 STABILITY OF LAYER OR FILM; LESS BYPRODUCTS AND/OR EFFLUENTS WHICH CAN IMPART AN UNDESIRED TASTE, COLOR, AND/OR ODOR TO THE PACKAGED PRODUCT CRYOVAC, INC. 2001-07-03 US disclosed
CN-1301280-A Oxygen scavenger for reducing oxidation products for plastic films and beverage and food containers CHEVRON CHEM CO (US) 2001-06-27 CN disclosed
EP-0048376-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED DIARYL IMIDODICARBOXYLATES BAYER AG (DE) 1984-02-15 EP disclosed
EP-0048377-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED DIARYL IMIDODICARBOXYLATES BAYER AG (DE) 1983-10-19 EP disclosed
EP-0048377-A1 Process for the preparation of N-substituted diaryl imidodicarboxylates BAYER AG (DE) 1982-03-31 EP disclosed
EP-0048376-A1 Process for the preparation of N-substituted diaryl imidodicarboxylates BAYER AG (DE) 1982-03-31 EP disclosed
US-4027037-A ARTHROPOD METAMORPHOSIS INHIBITORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed
US-4017539-A Biguanide compounds and anti-diabetic compositions BOEHRINGER MANNHEIM G.M.B.H. (DT) 1977-04-12 US disclosed
US-3969409-A ANALGESIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-07-13 US disclosed