SCHEMBL21291571

SCHEMBL21291571

O=CCCCCCO[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
CA9 Q16790 4/20 0.41
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.38
FAAH O00519 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ESR2 Q92731 2/20 0.33

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
SCHEMBL13685929 1.00 CA12 (0.41) CA12CA1CA2CA4CA9
SCHEMBL5052269 0.91
SCHEMBL8957403 0.83 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL25180667 0.83 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL1842696 0.83 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL25180691 0.83 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL25184217 0.83 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL324868 0.83 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL8957343 0.83 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL8709991 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3772511-B1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE NICOX SA (FR) 2023-11-08 EP claimed
EP-3530649-B1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE NICOX SA (FR) 2020-09-30 EP claimed
EP-4288413-A1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE Nicox S.A. (FR) 2023-12-13 EP disclosed
WO-2022167070-A1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE NICOX S.A. (FR) 2022-08-11 WO disclosed
WO-2021023693-A1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE NICOX S.A. (FR) 2021-02-11 WO disclosed
EP-3530649-B1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE NICOX SA (FR) 2020-09-30 EP disclosed
WO-2019162149-A1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE NICOX S.A. (FR) 2019-08-29 WO disclosed
EP-3530649-A1 PROCESS FOR THE PREPARATION OF A NITRIC OXIDE DONATING PROSTAGLANDIN ANALOGUE Nicox S.A. (FR) 2019-08-28 EP disclosed