SCHEMBL3306963

SCHEMBL3306963

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL1330527 0.78
SCHEMBL1122744 0.78
SCHEMBL186676 0.75 ALDH1A1 (0.56) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL1119156 0.75
Ammonia Solution, Strong SCHEMBL14248697 0.75
SCHEMBL3635527 0.75
SCHEMBL1603746 0.72
SCHEMBL10897965 0.72
SCHEMBL500130 0.72
SCHEMBL8060213 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120291931-A1 COMPOSITE COMPOUND INCLUDING EXPLOSIVE AND MODIFIER FOR EXPLOSIVE AND METHOD OF MANUFACTURE THEREOF MCDERMOTT WILL & EMERY 2012-11-22 US claimed
US-20100096050-A1 MODIFIER FOR EXPLOSIVES LIMITED LIABILITY COMPANY IFO 2010-04-22 US claimed
EP-2128117-A2 MODIFIER FOR EXPLOSIVES Obshestvo S Ogranichennoy Otvetstvennjctyu "Ifokhim" (RU) 2009-12-02 EP claimed
EP-2128117-A2 MODIFIER FOR EXPLOSIVES Obshestvo S Ogranichennoy Otvetstvennjctyu "Ifokhim" (RU) 2009-12-02 EP 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
US-4560779-A Preparation and polymerization of oxether-1 THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1985-12-24 US disclosed
US-4560779-A Preparation and polymerization of oxether-1 THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1985-12-24 US disclosed
US-4472311-A Method of preparing 1,1,1-azidodinitro compounds ROCKWELL INTERNATIONAL CORPORATION (US) 1984-09-18 US disclosed
US-4297152-A LIQUID MIXTURE OF BIS/2,2-DINITROPROPYL/ACETAL AND-/FORMAL AND BIS2,2,2-FLUORODINITROETHYL/FORMAL; ROCKETS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1981-10-27 US disclosed
US-4141768-A POLYETHER ROCKWELL INTERNATIONAL CORPORATION (US) 1979-02-27 US disclosed