SCHEMBL6830729

SCHEMBL6830729

N#CCCN1CCC1

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
SCHEMBL2180105 0.97 POLB (1.00)
SCHEMBL22691929 0.97 POLB (1.00)
SCHEMBL66077 0.94
SCHEMBL64284 0.92 POLB (0.81)
SCHEMBL153467 0.92 POLB (0.81)
SCHEMBL15650449 0.92 POLB (0.81)
SCHEMBL11051019 0.90 POLB (0.77)
SCHEMBL22691902 0.89 POLB (0.83)
SCHEMBL1344289 0.88 ALDH1A1 (1.00)
SCHEMBL383162 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743564-B2 A POSITIVE RESIST FORMULATION CONSISTS OF NITRILE CONTAINING TERT-AMINE COMPOUND, AN ORGANIC SOLVENT AND A BASE RESIN HAVING AN ACIDIC FUNCTIONAL GROUP WHICH IS PROTECTED WITH AN ACID LABILE GROUP, A PHOTOACID GENERATOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-06-01 US claimed
US-4985584-A RING OPENING REACTION WITH N2O4 OR N2O5 SECRETARY OF STATE FOR DEFENCE (GB) 1991-01-15 US claimed
CN-103333275-B With the polymkeric substance of functionalized with nitrile compounds comprising protected amino BRIDGESTONE CO., LTD. (JP) 2015-07-29 CN disclosed
CN-103025816-B Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2015-07-22 CN disclosed
CN-103333275-A Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2013-10-02 CN disclosed
CN-102361887-B Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2013-06-26 CN disclosed
CN-103025816-A Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2013-04-03 CN disclosed
US-6743564-B2 A POSITIVE RESIST FORMULATION CONSISTS OF NITRILE CONTAINING TERT-AMINE COMPOUND, AN ORGANIC SOLVENT AND A BASE RESIN HAVING AN ACIDIC FUNCTIONAL GROUP WHICH IS PROTECTED WITH AN ACID LABILE GROUP, A PHOTOACID GENERATOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020115018-A1 Amine compounds, resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-08-22 US disclosed
EP-0223440-B1 A PROCESS FOR THE PRODUCTION OF HIGH ENERGY MATERIAL The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1991-03-06 EP disclosed
US-4985584-A RING OPENING REACTION WITH N2O4 OR N2O5 SECRETARY OF STATE FOR DEFENCE (GB) 1991-01-15 US disclosed
EP-0223440-A1 A process for the production of high energy material The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1987-05-27 EP disclosed