SCHEMBL3132445

SCHEMBL3132445

B.CC(C)CN

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
SCHEMBL16339 0.95
SCHEMBL1875382 0.95 ALDH1A1 (0.58)
Bromide SCHEMBL14157491 0.90
SCHEMBL3828904 0.90
Hydrochloric Acid SCHEMBL4701992 0.90
Water SCHEMBL4798777 0.90
Ammonia Solution, Strong SCHEMBL10936770 0.90
Fluoride SCHEMBL1055107 0.90
Hydrogen Sulfide SCHEMBL11019612 0.90
Iodide SCHEMBL6417639 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160087295-A1 Catalyst and Process for the Production of Hydrogen from Ammonia Boranes UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2016-03-24 US claimed
EP-2988867-A2 CATALYST AND PROCESS FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANES Novaucd (IE) 2016-03-02 EP claimed
WO-2014174465-A2 PROCESS NOVAUCD (IE) 2014-10-30 WO claimed
US-20130209905-A1 PROCESS FOR THE PRODUCTION OF HYDROGEN NOVAUCD (IE) 2013-08-15 US claimed
EP-2576432-A1 PROCESS FRO THE PRODUCTION OF HYDROGEN Novaucd (IE) 2013-04-10 EP claimed
WO-2011151792-A1 PROCESS FRO THE PRODUCTION OF HYDROGEN NOVAUCD (IE) 2011-12-08 WO claimed
US-20160087295-A1 Catalyst and Process for the Production of Hydrogen from Ammonia Boranes UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2016-03-24 US disclosed
EP-2988867-A2 CATALYST AND PROCESS FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANES Novaucd (IE) 2016-03-02 EP disclosed
WO-2014174465-A2 PROCESS NOVAUCD (IE) 2014-10-30 WO disclosed
US-20130209905-A1 PROCESS FOR THE PRODUCTION OF HYDROGEN NOVAUCD (IE) 2013-08-15 US disclosed
EP-2576432-A1 PROCESS FRO THE PRODUCTION OF HYDROGEN Novaucd (IE) 2013-04-10 EP disclosed
WO-2011151792-A1 PROCESS FRO THE PRODUCTION OF HYDROGEN NOVAUCD (IE) 2011-12-08 WO disclosed
WO-2011149912-A1 CORE/SHELL NANOPARTICLE SYNTHESIS AND CATALYTIC METHOD BROWN UNIVERSITY (US) 2011-12-01 WO disclosed
US-7645902-B2 Acid-catalyzed dehydrogenation of amine-boranes LOS ALAMOS NATIONAL SECURITY, LLC (US) 2010-01-12 US disclosed
US-7544837-B2 Base metal dehydrogenation of amine-boranes LOS ALAMOS NATIONAL SECURITY, LLC (US) 2009-06-09 US disclosed
WO-2007086970-A2 BASE METAL DEHYDROGENATION OF AMINE-BORANES LOS ALAMOS NATIONAL SECURITY, LLC (US) 2007-08-02 WO disclosed
US-20070128475-A1 Base metal dehydrogenation of amine-boranes LOS ALAMOS NATIONAL SECURITY, LLC 2007-06-07 US disclosed
US-20060292068-A1 Acid-catalyzed dehydrogenation of amine-boranes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-12-28 US disclosed