SCHEMBL588304

SCHEMBL588304

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

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL6383785 0.76 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL9510351 0.74 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL30366950 0.73 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL28716924 0.73 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL10935741 0.71 TSHR (0.46) ALDH1A1TSHRKDM4E
SCHEMBL5474553 0.71 ALDH1A1 (0.37) ALDH1A1
SCHEMBL10847489 0.70 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL1612759 0.70 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL10952107 0.70 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL18471495 0.69 ALDH1A1 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632673-B1 PACKAGED EXPLOSIVE AGENT CONTAINING MOULDED BODY AND METHOD FOR PACKAGING THE MOULDED BODY MUNI BERKA GMBH (DE) 2022-04-06 EP claimed
EP-3632673-A1 PACKAGED EXPLOSIVE AGENT CONTAINING MOULDED BODIES AND METHOD FOR PACKAGING THE MOULDED BODY Muni Berka GmbH (DE) 2020-04-08 EP claimed
US-8114230-B1 Composition 4 (C-4) simulants THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2012-02-14 US claimed
EP-4728258-A1 DEVICE FOR CONCENTRATING VAPOURS OF CHEMICAL MOLECULES CONTAINED IN THE AIR Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2026-04-22 EP disclosed
WO-2024256532-A1 DEVICE FOR CONCENTRATING VAPOURS OF CHEMICAL MOLECULES CONTAINED IN THE AIR Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2024-12-19 WO disclosed
US-12017832-B2 Method of training mammals using explosive-detection training aids The Government of the United States of America, as represented by the Secretary of Homeland Security (US) 2024-06-25 US disclosed
US-20240017897-A1 METHOD OF TRAINING MAMMALS USING EXPLOSIVE-DETECTION TRAINING AIDS The Government of the United States of America, as represented by the Secretary of Homeland Security (US) 2024-01-18 US disclosed
US-11794977-B2 Packaging for powdered explosive-detection training aids and uses thereof The Government of the United States of America, as represented by the Secretary of Homeland Security (US) 2023-10-24 US disclosed
US-20220112017-A1 PACKAGING FOR POWDERED EXPLOSIVE-DETECTION TRAINING AIDS AND USES THEREOF The Government of the United States of America, as represented by the Secretary of Homeland Security (US) 2022-04-14 US disclosed
EP-3632673-B1 PACKAGED EXPLOSIVE AGENT CONTAINING MOULDED BODY AND METHOD FOR PACKAGING THE MOULDED BODY MUNI BERKA GMBH (DE) 2022-04-06 EP disclosed
US-11220386-B2 Methods of training to detect powdered explosive-detection training aids The Government of the United States of America, as represented by the Secretary of Homeland Security (US) 2022-01-11 US disclosed
US-7694628-B2 Method of producing energetically-inert pseudoscents of explosive materials, and compositions thereof GMA INDUSTRIES (US) 2010-04-13 US disclosed
US-20070221087-A1 Method of producing energetically-inert pseudoscents of explosive materials, and compositions thereof GMA INDUSTRIES 2007-09-27 US disclosed
US-6797944-B2 Laser desorption and detection of explosives, narcotics, and other chemical substances CONTROL SCREENING, LLC 2004-09-28 US disclosed
US-20040169845-A1 LASER DESORPTION AND DETECTION OF EXPLOSIVES, NARCOTICS, AND OTHER CHEMICAL SUBSTANCES CONTROL SCREENING, LLC 2004-09-02 US disclosed
US-6765198-B2 Enhancements to ion mobility spectrometers GENERAL ELECTRIC COMPANY 2004-07-20 US disclosed
EP-1245952-A2 Ion mobility spectrometer Ion Track Instruments LLC (US) 2002-10-02 EP disclosed
US-20020134933-A1 Enhancements to ion mobility spectrometers ION TRACK INSTRUMENTS LLC (US) 2002-09-26 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