SCHEMBL2220037

SCHEMBL2220037

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.37
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 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
SCHEMBL27643314 0.80 ALDH1A1 (0.45) ALDH1A1TDP1TSHRCA5ACA5B
SCHEMBL29054463 0.71
SCHEMBL1577076 0.70
SCHEMBL3811251 0.69 MEN1 (0.41) ALDH1A1TDP1TSHRCA5ACA5B
SCHEMBL11033602 0.69
SCHEMBL4982398 0.69
SCHEMBL5956978 0.69
Ethylene Glycol SCHEMBL27919775 0.67 ALDH1A1 (0.53) ALDH1A1TDP1TSHRCA5ACA5B
SCHEMBL9733202 0.67
SCHEMBL11033605 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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117497754-A Negative electrode material, preparation method thereof and sodium ion battery 惠州市贝特瑞新材料科技有限公司 2024-02-02 CN claimed
EP-1854160-A2 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2007-11-14 EP claimed
WO-2006085319-A2 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 2006-08-17 WO claimed
US-5009728-A Amorphous and homogenous solutions of nitroaliphatic oxidizer and plasticized binder of thermoplastic elastomer having oleophilic and polar segments; rocket propellants; firearms THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1991-04-23 US claimed
CN-117497754-A Negative electrode material, preparation method thereof and sodium ion battery 惠州市贝特瑞新材料科技有限公司 2024-02-02 CN disclosed
CN-110520111-B Pharmaceutical formulation and method for managing body weight and regulating intestinal microbiota 塞诺生物科学股份有限公司 2023-12-19 CN disclosed
CN-116670114-A Methods for preparing PD-1/PD-L1 inhibitors, and salts and crystalline forms thereof 因赛特公司 2023-08-29 CN disclosed
WO-2023072812-A1 ENERGETIC COMPOUNDS EURENCO (FR) 2023-05-04 WO disclosed
EP-4169907-A1 NITRAMINE PYRAZOLE ENERGETIC COMPOUNDS Eurenco (FR) 2023-04-26 EP disclosed
WO-2023062053-A1 PROCESS FOR SYNTHESIZING BIS(2-NITRATOETHYL) DINITROXAMIDE EURENCO (FR) 2023-04-20 WO disclosed
EP-4166536-A1 PROCESS FOR SYNTHESIZING BIS(2-NITRATOETHYL) DINITROXAMIDE Eurenco (FR) 2023-04-19 EP disclosed
CN-107921073-B Methods and compositions for regulating gut microbiota and managing weight 塞诺生物科学股份有限公司 2022-10-18 CN disclosed
US-6610977-B2 Security system for NBC-safe building LOCKHEED MARTIN CORPORATION 2003-08-26 US disclosed
US-5631406-A Chemical compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1997-05-20 US disclosed
US-5155281-A Preparing dichloroformals THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1992-10-13 US disclosed
US-5120479-A Melting thermoplastic elastomer, dissolving placticizer, adding nitroaliphatic oxidizer and casting THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1992-06-09 US disclosed
US-5120479-A Melting thermoplastic elastomer, dissolving placticizer, adding nitroaliphatic oxidizer and casting THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1992-06-09 US disclosed
US-5009728-A Amorphous and homogenous solutions of nitroaliphatic oxidizer and plasticized binder of thermoplastic elastomer having oleophilic and polar segments; rocket propellants; firearms THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1991-04-23 US disclosed
US-5009728-A Amorphous and homogenous solutions of nitroaliphatic oxidizer and plasticized binder of thermoplastic elastomer having oleophilic and polar segments; rocket propellants; firearms THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1991-04-23 US disclosed
US-H644-H Method for preparing 2,2,2-trinitroethyl 2-nitroxyethyl ether THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1989-06-06 US disclosed