SCHEMBL2502947

SCHEMBL2502947

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
ALDH1A1 P00352 4/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 1/20 0.48
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 2/20 0.38
CPA1 P15085 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
SCHEMBL9695607 0.85 ATM (0.41)
SCHEMBL12475886 0.85 ATM (0.41)
SCHEMBL10337184 0.78 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9060209 0.76 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1863139 0.75 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL996461 0.74 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6368712 0.74 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
Nitric Acid SCHEMBL27857293 0.73 TSHR (0.76) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10895744 0.73 ALOX15 (0.41) TSHRALDH1A1TP53HSD17B10SMN1; SMN2
SCHEMBL29550542 0.72 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119410304-A Adhesive and application thereof in lithium battery 深圳好电科技有限公司 2025-02-11 CN claimed
US-20050281968-A1 Energetic structural material ALLIANT TECHSYSTEMS INC. (US) 2005-12-22 US claimed
US-3976522-A Nitroplasticized amine perchlorate flexible explosives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1976-08-24 US claimed
US-3957549-A PETRIN ACRYLATE, DINITROPROPYL ACRYLATE, ACRYLIC ACID THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1976-05-18 US claimed
US-20250281976-A1 DEPOSING INITIARY COMPOSITIONS BAE SYSTEMS PLC (GB) 2025-09-11 US disclosed
US-12391631-B2 Relating to energetic materials LEWTAS SCIENCE & TECHNOLOGIES LTD (GB) 2025-08-19 US disclosed
EP-3838877-B1 INSENSITIVE MUNITION PROPELLANTS BAE SYSTEMS PLC (GB) 2025-07-23 EP disclosed
CN-119410304-A Adhesive and application thereof in lithium battery 深圳好电科技有限公司 2025-02-11 CN disclosed
EP-3873690-B1 DEPOSING INITIARY COMPOSITIONS BAE SYSTEMS PLC (GB) 2024-03-13 EP disclosed
US-11802099-B2 Or relating to energetic materials LEWTAS SCIENCE & TECHNOLOGIES LTD (GB) 2023-10-31 US disclosed
US-20220002213-A1 DEPOSING INITIARY COMPOSITIONS BAE SYSTEMS PLC (GB) 2022-01-06 US disclosed
US-20210371354-A1 POLYMERISABLE BINDER BAE SYSTEMS PLC (GB) 2021-12-02 US disclosed
US-5092944-A Specific distribution of particle sizes of cyclo-1,3,5,7-tetramethylene-2,4,6,8-tetranitramine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1992-03-03 US disclosed
US-4336085-A MODIFYING THE DETONATION VELOCITY WALKER FRANKLIN E 1982-06-22 US disclosed
US-4304614-A AMMUNITION, DYNAMIC LASERS, FUSES, WELDING WALKER FRANKLIN E 1981-12-08 US disclosed
US-4196026-A LOW MOLECULAR WEIGHT WALKER FRANKLIN E 1980-04-01 US disclosed
US-4142927-A ISOCYANATES, OLEFINS OR IODINE AS SCAVENGERS WALKER FRANKLIN E 1979-03-06 US disclosed
US-3976522-A Nitroplasticized amine perchlorate flexible explosives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1976-08-24 US disclosed
US-3957549-A PETRIN ACRYLATE, DINITROPROPYL ACRYLATE, ACRYLIC ACID THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1976-05-18 US disclosed
US-3957549-A PETRIN ACRYLATE, DINITROPROPYL ACRYLATE, ACRYLIC ACID THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1976-05-18 US disclosed