SCHEMBL2803017

SCHEMBL2803017

NCCCN1C=CN(CCO)C=C1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KEAP1 Q14145 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL14980604 0.86
SCHEMBL5655202 0.69
Bromide SCHEMBL31507602 0.67 KEAP1 (0.30) KEAP1SMN1; SMN2
Water SCHEMBL31507632 0.67 KEAP1 (0.30) KEAP1SMN1; SMN2
SCHEMBL1559833 0.67 KEAP1 (0.54) ALDH1A1KEAP1SMN1; SMN2
Bromide SCHEMBL29657994 0.67 MEN1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL22783688 0.65 KEAP1 (0.52) ALDH1A1KEAP1SMN1; SMN2NFKB1
SCHEMBL31460438 0.65 NFKB1 (0.39) TSHRNFKB1
SCHEMBL4982333 0.65
SCHEMBL17028873 0.62 TSHR (0.58) ALDH1A1TSHRSMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010060818-A1 ALKOXYLATED OLIGOAMINES OR POLYAMINES AS OXIDATION STABILIZERS BASF SE (DE) 2010-06-03 WO disclosed
US-20100064576-A1 OLIGO- OR POLYAMINES AS OXIDATION STABILIZERS FOR BIOFUEL OILS BASF SE (DE) 2010-03-18 US disclosed
EP-2089494-A2 OLIGO- OR POLYAMINES AS OXIDATION STABILIZERS FOR BIOFUEL OILS BASF SE (DE) 2009-08-19 EP disclosed
WO-2008049822-A2 OLIGO- OR POLYAMINES AS OXIDATION STABILIZERS FOR BIOFUEL OILS BASF SE (DE) 2008-05-02 WO disclosed