SCHEMBL4056511

SCHEMBL4056511

CCCCOC(COCC)O[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
PLA2G2A P14555 1/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR3 Q9UBY5 2/20 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
SCHEMBL3302854 0.82 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3305110 0.79 TSHR (0.35) ALDH1A1LPAR1LPAR3
SCHEMBL28131148 0.77 TSHR (0.33) PLA2G2ALPAR1LPAR3
SCHEMBL9508813 0.76
SCHEMBL17186653 0.74 TSHR (0.40) PLA2G2ALPAR1LPAR3
SCHEMBL9505476 0.74 ALDH1A1 (0.37) ALDH1A1
Nitric Acid SCHEMBL3301826 0.73 TDP1 (0.36) LPAR1LPAR3
SCHEMBL28534846 0.72 TSHR (0.39) ALDH1A1LPAR1LPAR3
SCHEMBL11124575 0.72 ALDH1A1 (0.42) ALDH1A1LPAR1LPAR3
SCHEMBL9502490 0.71 TSHR (0.42) LPAR1LPAR3

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-0129995-B2 A PROCESS FOR THE MANUFACTURE OF NITRIC ACID ESTERS AECI LIMITED (ZA) 1993-09-08 EP claimed
EP-0129995-B1 A PROCESS FOR THE MANUFACTURE OF NITRIC ACID ESTERS AECI LIMITED (ZA) 1987-05-13 EP claimed
EP-0129995-A2 A process for the manufacture of nitric acid esters AECI LIMITED (ZA) 1985-01-02 EP claimed
EP-2038530-A2 FUEL COMPONENTS, FUEL COMPOSITIONS AND METHODS OF MAKING AND USING SAME Amyris Biotechnologies, Inc. (US) 2009-03-25 EP disclosed
WO-2007139925-A2 FUEL COMPONENTS, FUEL COMPOSITIONS AND METHODS OF MAKING AND USING SAME AMYRIS BIOTECHNOLOGIES, INC. (US) 2007-12-06 WO disclosed