SCHEMBL2018465

SCHEMBL2018465

CC(C)(C[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3814475 0.77 TSHR (0.40) ALDH1A1TSHRTDP1LMNA
SCHEMBL2020575 0.77
SCHEMBL12219493 0.75
SCHEMBL9452628 0.75 TSHR (0.44) ALDH1A1TSHRTDP1
SCHEMBL1170397 0.73
SCHEMBL9937068 0.73
SCHEMBL28138181 0.73
SCHEMBL27464807 0.72
SCHEMBL5907560 0.71
SCHEMBL11326956 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478425-B A kind of 2- methyl-1, the preparation method of 2- propane diamine and its salt 盐城师范学院 2019-04-02 CN disclosed
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
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
WO-2011078931-A1 HYDROCARBON FEED FLEXIBLE HIGH PRESSURE NITRATION PLANT DESIGN DOW GLOBAL TECHNOLOGIES LLC (US) 2011-06-30 WO disclosed
US-20110160496-A1 HYDROCARBON FEED FLEXIBLE HIGH PRESSURE NITRATION PLANT DESIGN DOW GLOBAL TECHNOLOGIES INC. (US) 2011-06-30 US disclosed
EP-0341496-B1 Modified diene polymer rubbers SUMITOMO CHEMICAL CO (JP) 1993-10-20 EP disclosed
US-5219938-A Reacting a living polymer of a conjugated diene with a tin or silicon compound and with a nitro compound, a phosphoryl chloride, aminosilane, an acrylamide or an aminovinylsilane; auto tires; impact strength; cold resistance; storage SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-15 US disclosed
US-5128416-A Automobile tire treads SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-07 US disclosed
US-5015692-A Rubbers for tires having impact strength SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-14 US disclosed
US-4957976-A IMPROVED PROPERTIES FOR AUTOMOBILE TIRES, MODIFIED WITH PHOSPHORYL CHLORIDE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1990-09-18 US disclosed
EP-0341496-A2 Modified diene polymer rubbers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-15 EP disclosed
EP-0270071-A2 Process for preparing modified diene polymer rubbers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-06-08 EP disclosed