SCHEMBL570003

SCHEMBL570003

CC1(CCCN=C=O)CCC(N=C=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL503117 0.80 ALDH1A1 (0.68) ALDH1A1CYP3A4
SCHEMBL462575 0.80 ALDH1A1 (0.63) ALDH1A1CYP3A4
SCHEMBL25269364 0.77 ALDH1A1 (0.46) ALDH1A1CYP3A4
SCHEMBL9775798 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4
SCHEMBL502918 0.76 ALDH1A1 (0.67) ALDH1A1CYP3A4
SCHEMBL28238709 0.75 ALDH1A1 (0.48) ALDH1A1CYP3A4
SCHEMBL6901565 0.75 ALDH1A1 (0.48) ALDH1A1CYP3A4
SCHEMBL28143136 0.75 ALDH1A1 (0.48) ALDH1A1CYP3A4
SCHEMBL11806811 0.74 ALDH1A1 (0.38) ALDH1A1CYP3A4
SCHEMBL1526700 0.72 ALDH1A1 (0.36) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2726522-A1 COMPOSITION BASED ON COMPOUNDS CONTAINING CARBAMOYLSULFONATE GROUPS LANXESS Deutschland GmbH (DE) 2014-05-07 EP claimed
EP-2601317-A1 COMPOSITIONS COMPRISING AT LEAST ONE COMPOUND CONTAINING A CARBAMOYL SULFONATE GROUP AND USE OF THE SAME AS TANNING AGENTS Lanxess Deutschland GmbH (DE) 2013-06-12 EP claimed
WO-2013023980-A1 METHOD FOR HYDROPHOBING SUBSTRATES CONTAINING COLLAGEN FIBERS LANXESS DEUTSCHLAND GMBH (DE) 2013-02-21 WO claimed
EP-2557224-A1 Method for colouring substrates containing collagen fibres LANXESS Deutschland GmbH (DE) 2013-02-13 EP claimed
WO-2013001077-A1 COMPOSITION BASED ON COMPOUNDS CONTAINING CARBAMOYLSULFONATE GROUPS LANXESS DEUTSCHLAND GMBH (DE) 2013-01-03 WO claimed
WO-2012016907-A1 COMPOSITIONS COMPRISING AT LEAST ONE COMPOUND CONTAINING A CARBAMOYL SULFONATE GROUP AND USE OF THE SAME AS TANNING AGENTS LANXESS DEUTSCHLAND GMBH (DE) 2012-02-09 WO claimed
EP-2726522-A1 COMPOSITION BASED ON COMPOUNDS CONTAINING CARBAMOYLSULFONATE GROUPS LANXESS Deutschland GmbH (DE) 2014-05-07 EP disclosed
EP-2694690-A1 SOLID, PARTICULATE TANNING AGENT PREPARATIONS LANXESS Deutschland GmbH (DE) 2014-02-12 EP disclosed
EP-2694689-A1 SOLID, PARTICULATE MATERIAL BASED ON COMPOUNDS CONTAINING CARBAMOYLSULFONATE GROUPS LANXESS Deutschland GmbH (DE) 2014-02-12 EP disclosed
EP-2601317-A1 COMPOSITIONS COMPRISING AT LEAST ONE COMPOUND CONTAINING A CARBAMOYL SULFONATE GROUP AND USE OF THE SAME AS TANNING AGENTS Lanxess Deutschland GmbH (DE) 2013-06-12 EP disclosed
WO-2013023980-A1 METHOD FOR HYDROPHOBING SUBSTRATES CONTAINING COLLAGEN FIBERS LANXESS DEUTSCHLAND GMBH (DE) 2013-02-21 WO disclosed
WO-2013023979-A1 METHOD FOR DYEING SUBSTRATES CONTAINING COLLAGEN FIBRE LANXESS DEUTSCHLAND GMBH (DE) 2013-02-21 WO disclosed
WO-2013001077-A1 COMPOSITION BASED ON COMPOUNDS CONTAINING CARBAMOYLSULFONATE GROUPS LANXESS DEUTSCHLAND GMBH (DE) 2013-01-03 WO disclosed
WO-2012150179-A1 METHOD FOR PRESERVING A SUBSTRATE THAT CONTAINS COLLAGEN FIBRES LANXESS DEUTSCHLAND GMBH (DE) 2012-11-08 WO disclosed
WO-2012136565-A1 SOLID, PARTICULATE TANNING AGENT PREPARATIONS LANXESS DEUTSCHLAND GMBH (DE) 2012-10-11 WO disclosed
WO-2012136559-A1 SOLID, PARTICULATE MATERIAL BASED ON COMPOUNDS CONTAINING CARBAMOYLSULFONATE GROUPS LANXESS DEUTSCHLAND GMBH (DE) 2012-10-11 WO disclosed
WO-2012016907-A1 COMPOSITIONS COMPRISING AT LEAST ONE COMPOUND CONTAINING A CARBAMOYL SULFONATE GROUP AND USE OF THE SAME AS TANNING AGENTS LANXESS DEUTSCHLAND GMBH (DE) 2012-02-09 WO disclosed