SCHEMBL2957733

SCHEMBL2957733

CN(C)C1N(C)C=CCN1CC#N

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
SCHEMBL2953183 0.77
SCHEMBL29743340 0.73
SCHEMBL2865200 0.72
SCHEMBL3458262 0.68
SCHEMBL2869473 0.66 POLB (0.31)
SCHEMBL27582771 0.66
SCHEMBL29743343 0.61
SCHEMBL27650856 0.58 SLC6A9 (0.32)
SCHEMBL27670931 0.57
SCHEMBL29011910 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749625-B2 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2010-07-06 US disclosed
US-7470738-B2 Non-aqueous absorbent and use thereof SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2008-12-30 US disclosed
US-20080233438-A1 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2008-09-25 US disclosed
US-20070269987-A1 Polishing Liquid for Cmp Process and Polishing Method SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2007-11-22 US disclosed
EP-1705740-A1 FUEL FOR FUEL CELL, FUEL CELL AND APPLICATION THEREOF Kurita Water Industries Ltd. (JP) 2006-09-27 EP disclosed
EP-1628334-A1 POLISHING LIQUID FOR CMP PROCESS AND POLISHING METHOD SANYO CHEMICAL INDUSTRIES LTD. (JP) 2006-02-22 EP disclosed
US-20050136247-A1 Non-aqueous absorbent and use thereof SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-23 US disclosed
EP-1462460-A1 NON-AQUEOUS ABSORBENT AND USE THEREOF SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-29 EP disclosed