SCHEMBL417312

SCHEMBL417312

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

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 4/20 0.38
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
PTGS2 P35354 2/20 0.31
PTGS1 P23219 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
SCHEMBL27281565 1.00 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA4
SCHEMBL28004818 0.96 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA4
Ammonia Solution, Strong SCHEMBL721752 0.96 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA4
Ethylene SCHEMBL20711015 0.93 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA4
Ethylene SCHEMBL11441586 0.93 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA4
Cyclopropane SCHEMBL7531022 0.90 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL437092 0.90 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL439675 0.90 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL11792981 0.90 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL28277555 0.90 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4

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

Appears in 2898 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122037281-A Preparation method of hydrophobic silane modified cellulose aerogel film 南京工业大学 2026-05-15 CN claimed
US-20260110607-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES WITH MINIMIZED FALSE POSITIVES ALTI LLC (US) 2026-04-23 US claimed
US-12590249-B2 Etchant composition SAMSUNG ELECTRONICS CO., LTD. (KR) 2026-03-31 US claimed
US-20260048005-A1 INJECTABLE THERMOSENSITIVE HYDROGELS FOR A SUSTAINED RELEASE OF IRON NANOCHELATORS MASSACHUSETTS GEN HOSPITAL (US) 2026-02-19 US claimed
EP-4689130-A2 METHODS AND COMPOSITIONS FOR ENHANCED EXPRESSION OF EXOGENOUS CASEINS IN TRANSGENIC PLANTS Mozza Foods Inc. (US) 2026-02-11 EP claimed
US-12528982-B2 Compositions and methods for breaking foams and emulsions CHEVRON U.S.A. INC. (US) 2026-01-20 US claimed
US-12517047-B2 Transport and detection of explosive samples ALTI LLC (US) 2026-01-06 US claimed
EP-3697461-B1 POROUS MATERIAL UNIV NOTTINGHAM (GB) 2025-12-24 EP claimed
EP-4200682-B1 OUTLIER DETECTION BASED ON PROCESS FINGERPRINTS FROM ROBOT CYCLE DATA ABB SCHWEIZ AG (CH) 2025-12-10 EP claimed
US-12436135-B2 Analytical process for detecting peroxide-, nitrate-, nitramine-, and nitrotoluene-based explosives CHRISTIAN-ALBRECHTS-UNIVERSITÄT ZU KIEL (DE) 2025-10-07 US claimed
US-4415456-A Removal and destruction of residual nitrate esters in wastewater HERCULES INCORPORATED (US) 1983-11-15 US claimed
US-4167521-A SEPARATING NITROGLYCERIN FROM WATER ATLAS POWDER COMPANY (US) 1979-09-11 US claimed
US-4125445-A WASTE WATER TREATMENT HERCULES INCORPORATED (US) 1978-11-14 US claimed
US-4112115-A Therapy of leg muscle cramps COGHLAN CHARLES C 1978-09-05 US claimed
US-4106960-A Temperature-compensating propellant charge DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1978-08-15 US claimed
US-4066514-A RECOVERY OF NITRATED COMPOUNDS FROM WATER BY DISTILLATION ATLAS POWDER COMPANY (US) 1978-01-03 US claimed
US-4047989-A Method for the recovery of blasting oil from effluents from the production of nitroglycerine-containing explosives DYNO INDUSTRIER A.S. (NO) 1977-09-13 US claimed
US-4026739-A ALIPHATIC DINITRATE ESTERS, BIS-2-ETHYLHEXYL SEBACATE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1977-05-31 US claimed
US-4018676-A Removal of explosive materials from water by chemical interaction on strongly basic ion exchange resins THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1977-04-19 US claimed
US-3977922-A NITRO COMPOUNDS IN THERMOSETTING RESINS NIPPON OILS AND FATS COMPANY LIMITED (JA) 1976-08-31 US claimed