SCHEMBL3138751

SCHEMBL3138751

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 3/20 0.33
HPGD P15428 1/20 0.31
HIF1A Q16665 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
SCHEMBL28996103 0.95 CA5A (0.46) CA5ACA5BMEN1KMT2AALDH1A1
SCHEMBL10906198 0.78
SCHEMBL31339221 0.78
Nitric Acid SCHEMBL29629186 0.74
SCHEMBL3141166 0.70 CA5A (0.50) CA5ACA5BMEN1KMT2AALDH1A1
Nitric Acid SCHEMBL4497942 0.70
Nitric Acid SCHEMBL6662435 0.70
Nitric Acid SCHEMBL3762342 0.67 CA5A (1.00) CA5ACA5BMEN1KMT2AALDH1A1
Nitric Acid SCHEMBL37356 0.67
Nitric Acid SCHEMBL234 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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117186109-A Tetrazine nitrate imitation compound and preparation method thereof 北京理工大学 2023-12-08 CN claimed
US-20090299106-A1 HIGHLY ENERGY-PRODUCING COMPOUND DIEHL BGT DEFENCE GMBH & CO., KG (DE) 2009-12-03 US claimed
CN-1084552-A Sulfurized overbased compositions LUBRIZOL CORP (US) 1994-03-30 CN claimed
US-4141910-A PLASTICIZERS, OXIDIZERS ROCKWELL INTERNATIONAL CORPORATION (US) 1979-02-27 US claimed
CN-114874154-B 3,3 '-Disubstituted-5, 5' -bis (1, 2, 4-oxadiazole) compound and preparation method thereof 北京理工大学 2024-06-11 CN disclosed
CN-117886764-A Preparation method and application of 1,2, 3-triazole-based high-energy-density oxidant 北京理工大学 2024-04-16 CN disclosed
CN-117285466-A 3,3', 5' -tetranitro-1, 1' -di (trinitromethyl) -1H,1' H-4,4' -bipyrazole energetic compound and preparation method and application thereof 北京理工大学 2023-12-26 CN disclosed
CN-117186109-A Tetrazine nitrate imitation compound and preparation method thereof 北京理工大学 2023-12-08 CN disclosed
CN-117186109-A Tetrazine nitrate imitation compound and preparation method thereof 北京理工大学 2023-12-08 CN disclosed
CN-116925005-A 3, 5-bis (trinitromethyl) -1,2, 4-oxadiazole energetic compound and preparation method and application thereof 北京理工大学 2023-10-24 CN disclosed
CN-116903537-A Novel polynitroamino pyrazole energetic compound and preparation method and application thereof 湖北航天化学技术研究所 2023-10-20 CN disclosed
CN-116354969-A Pyrazolopyrimidinone elementary explosive and preparation method thereof 四川轻化工大学 2023-06-30 CN disclosed
CN-87102764-A Destroy the technology of by product tetranitromethane 1987-11-18 CN disclosed
US-4472311-A Method of preparing 1,1,1-azidodinitro compounds ROCKWELL INTERNATIONAL CORPORATION (US) 1984-09-18 US disclosed
US-4472311-A Method of preparing 1,1,1-azidodinitro compounds ROCKWELL INTERNATIONAL CORPORATION (US) 1984-09-18 US disclosed
US-4328005-A Polynitro alkyl additives for liquid hydrocarbon motor fuels ROCKWELL INTERNATIONAL CORPORATION (US) 1982-05-04 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-4147731-A SOLVENT EXTRACTION ROCKWELL INTERNATIONAL CORPORATION (US) 1979-04-03 US disclosed
US-4141910-A PLASTICIZERS, OXIDIZERS ROCKWELL INTERNATIONAL CORPORATION (US) 1979-02-27 US disclosed
US-4122124-A FROM ISOPROPANOL AND NITRIC ACID ROCKWELL INTERNATIONAL CORPORATION (US) 1978-10-24 US disclosed