SCHEMBL4785534

SCHEMBL4785534

C1=CNC2NCCCN2C1

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
SCHEMBL3174810 0.70 HTR6 (0.31)
SCHEMBL4829737 0.67
SCHEMBL639068 0.67
SCHEMBL4067856 0.66
SCHEMBL4538695 0.64 MEN1 (0.30)
SCHEMBL4374658 0.60
SCHEMBL4074623 0.60 HTR6 (0.37)
SCHEMBL8170698 0.58 HTR6 (0.30)
SCHEMBL19608454 0.58 HTR6 (0.34)
SCHEMBL8170693 0.58 HTR6 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008127480-A2 PACKED BED MICROREACTORS CORNELL RESEARCH FOUNDATION, INC. (US) 2008-10-23 WO claimed
US-20210277275-A1 CROSSLINKED COATINGS STEVENS DAVID M (US) 2021-09-09 US disclosed
US-10138193-B2 Methods for producing fuels, gasoline additives, and lubricants using amine catalysts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-11-27 US disclosed
US-10106480-B2 Methods for producing fuels, gasoline additives, and lubricants using amine catalysts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-10-23 US disclosed
US-20170334823-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-23 US disclosed
US-20170327448-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-16 US disclosed
EP-3212602-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS The Regents of the University of California (US) 2017-09-06 EP disclosed
EP-3212328-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS The Regents of the University of California (US) 2017-09-06 EP disclosed
WO-2016069797-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-06 WO disclosed
WO-2016069805-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-06 WO disclosed
WO-2008127480-A2 PACKED BED MICROREACTORS CORNELL RESEARCH FOUNDATION, INC. (US) 2008-10-23 WO disclosed