SCHEMBL2026437

SCHEMBL2026437

O=[N+]([O-])C1(O)CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL3289507 0.71 NLRP3 (0.32)
SCHEMBL17412820 0.69 KCNA4 (0.34) ALDH1A1
SCHEMBL7765575 0.69 KCNA4 (0.34) ALDH1A1
SCHEMBL7046692 0.69
SCHEMBL3285840 0.67 NLRP3 (0.33)
SCHEMBL13978035 0.67 MME (0.31)
SCHEMBL899244 0.67 TSHR (0.30) ALDH1A1
SCHEMBL9341219 0.67
SCHEMBL9452643 0.67 KCNA4 (0.43)
SCHEMBL19210079 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516379-B1 HYDROCARBON FEED FLEXIBLE HIGH PRESSURE NITRATION PLANT DESIGN ANGUS CHEMICAL (US) 2016-12-28 EP disclosed
US-9504933-B2 Hydrocarbon feed flexible high pressure nitration plant design ANGUS CHEMICAL COMPANY (US) 2016-11-29 US disclosed
CN-102741217-B Design of high pressure nitration plant with flexible hydrocarbon feed DOW GLOBAL TECHNOLOGIES INC 2015-04-15 CN disclosed
US-20130343960-A1 HYDROCARBON FEED FLEXIBLE HIGH PRESSURE NITRATION PLANT DESIGN ANGUS CHEMICAL COMPANY (US) 2013-12-26 US disclosed
US-8558039-B2 Hydrocarbon feed flexible high pressure nitration plant design DOW GLOBAL TECHNOLOGIES LLC (US) 2013-10-15 US disclosed
EP-2516379-A1 HYDROCARBON FEED FLEXIBLE HIGH PRESSURE NITRATION PLANT DESIGN Dow Global Technologies LLC (US) 2012-10-31 EP disclosed
CN-102741217-A Design of high pressure nitration plant with flexible hydrocarbon feed DOW GLOBAL TECHNOLOGIES LLC 2012-10-17 CN disclosed
US-20110160496-A1 HYDROCARBON FEED FLEXIBLE HIGH PRESSURE NITRATION PLANT DESIGN DOW GLOBAL TECHNOLOGIES INC. (US) 2011-06-30 US disclosed
WO-2011078931-A1 HYDROCARBON FEED FLEXIBLE HIGH PRESSURE NITRATION PLANT DESIGN DOW GLOBAL TECHNOLOGIES LLC (US) 2011-06-30 WO disclosed