SCHEMBL402444

SCHEMBL402444

CCCCC(CCC)O[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CTSK P43235 1/20 0.34
CA2 P00918 3/20 0.31
CA1 P00915 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FDPS P14324 1/20 0.30
DNM1 Q05193 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
SCHEMBL3292096 0.96 ALDH1A1 (0.41) ALDH1A1CA2CA1TSHRSMN1; SMN2
SCHEMBL15052755 0.88 ALDH1A1 (0.45) ALDH1A1CA2CA1FDPS
SCHEMBL11689707 0.84 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL8277384 0.83 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL9803325 0.82 PTGS2 (0.34) ALDH1A1FDPS
SCHEMBL1258974 0.82 ALDH1A1 (0.39) ALDH1A1CA2CA1FDPS
SCHEMBL9951290 0.80 ALDH1A1 (0.42) ALDH1A1CA2CA1TSHRSMN1; SMN2
Hexadecane SCHEMBL6009418 0.80 ALDH1A1 (0.42) ALDH1A1CA2CA1FDPS
SCHEMBL29284724 0.80 ALDH1A1 (0.32) ALDH1A1CA2CA1
SCHEMBL11690998 0.79 TSHR (0.35) ALDH1A1TSHR

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
US-8100988-B2 Dispersing and anti-sedimentation properties and the lowering of the pour point and cloud point temperatures, cetane number; for use as fuel in diesel engines and in fuels such as domestic fuel oil for boilers ELF ANTAR FRANCE (FR) 2012-01-24 US disclosed
US-20080244964-A1 MULTIFUNCTIONAL ADDITIVE COMPOSITIONS ENABLING MIDDLE DISTILLATES TO BE OPERABLE IN COLD CONDITIONS ELF ANTAR FRANCE (FR) 2008-10-09 US disclosed
US-7326262-B2 Dispersing and anti-sedimentation properties and the lowering of the pour point and cloud point temperatures, cetane number; for use as fuel in diesel engines and in fuels such as domestic fuel oil for boilers ELF ANTAR FRANCE (FR) 2008-02-05 US disclosed
US-20030163951-A1 Multifunctional additive compositions enabling middle distillates to be operable in cold conditions ELF ANTAR FRANCE (FR) 2003-09-04 US disclosed