SCHEMBL2231808

SCHEMBL2231808

O=C=NCCCCCCCCCCCCCCCCCCCCCCCN=C=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.38
NAAA Q02083 1/20 0.38
GSK3B P49841 1/20 0.36
TRPA1 O75762 4/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
BACH1 O14867 1/20 0.32
MAFK O60675 1/20 0.32
EGFR P00533 1/20 0.32
PTGS2 P35354 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL58661 1.00 MIF (0.38) MIFNAAAGSK3BTRPA1ALDH1A1
SCHEMBL4251350 1.00 MIF (0.38) MIFNAAAGSK3BTRPA1ALDH1A1
SCHEMBL101467 1.00 MIF (0.38) MIFNAAAGSK3BTRPA1ALDH1A1
SCHEMBL1477623 1.00 MIF (0.38) MIFNAAAGSK3BTRPA1ALDH1A1
SCHEMBL10809632 1.00 MIF (0.38) MIFNAAAGSK3BTRPA1ALDH1A1
SCHEMBL8742957 1.00 MIF (0.38) MIFNAAAGSK3BTRPA1ALDH1A1
SCHEMBL3238884 1.00 MIF (0.38) MIFNAAAGSK3BTRPA1ALDH1A1
SCHEMBL43799 1.00 MIF (0.38) MIFNAAAGSK3BTRPA1ALDH1A1
SCHEMBL15038 1.00 MIF (0.38) MIFNAAAGSK3BTRPA1ALDH1A1
SCHEMBL5720451 1.00 MIF (0.38) MIFNAAAGSK3BTRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528963-B1 POLYMERS MADE OF RENEWABLE RESOURCES BASF SE (DE) 2015-09-23 EP disclosed
US-9096715-B2 Polymers made of renewable resources BASF SE (DE) 2015-08-04 US disclosed
US-20130030075-A1 POLYMERS MADE OF RENEWABLE RESOURCES BASF SE (DE) 2013-01-31 US disclosed
EP-2528963-A1 POLYMERS MADE OF RENEWABLE RESOURCES BASF SE (DE) 2012-12-05 EP disclosed
WO-2011089256-A1 POLYMERS MADE OF RENEWABLE RESOURCES MECKING STEFAN (DE) 2011-07-28 WO disclosed