Trinitrotoluene

Trinitrotoluene

SCHEMBL891182

Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-].Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
GPR35 Q9HC97 5/20 0.61
TSHR P16473 3/20 0.58
TDP1 Q9NUW8 5/20 0.56
MAPK1 P28482 3/20 0.54
MAPT P10636 3/20 0.54
CYP1A2 P05177 2/20 0.54
KMT2A Q03164 2/20 0.54
HPGD P15428 2/20 0.54
HIF1A Q16665 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
TTR P02766 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
RECQL P46063 1/20 0.54
PMP22 Q01453 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP3A4 P08684 1/20 0.52

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
Trinitrotoluene SCHEMBL20676 1.00 ALDH1A1 (0.61) ALDH1A1GPR35TSHRTDP1MAPK1
Trinitrotoluene SCHEMBL9101080 0.98 ALDH1A1 (0.59) ALDH1A1GPR35TSHRTDP1MAPK1
Trinitrotoluene SCHEMBL14966251 0.98 ALDH1A1 (0.59) ALDH1A1GPR35TSHRTDP1MAPK1
Trinitrotoluene SCHEMBL29643505 0.98 ALDH1A1 (0.59) ALDH1A1GPR35TSHRTDP1MAPK1
Trinitrotoluene SCHEMBL1272395 0.98 ALDH1A1 (0.59) ALDH1A1GPR35TSHRTDP1MAPK1
Trinitrotoluene SCHEMBL14966503 0.98 ALDH1A1 (0.59) ALDH1A1GPR35TSHRTDP1MAPK1
Trinitrotoluene SCHEMBL9101074 0.98 ALDH1A1 (0.59) ALDH1A1GPR35TSHRTDP1MAPK1
Trinitrotoluene SCHEMBL28861138 0.98 ALDH1A1 (0.59) ALDH1A1GPR35TSHRTDP1MAPK1
Trinitrotoluene SCHEMBL2566651 0.98 ALDH1A1 (0.59) ALDH1A1GPR35TSHRTDP1MAPK1
Trinitrotoluene SCHEMBL28218293 0.98 ALDH1A1 (0.59) ALDH1A1GPR35TSHRTDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117054481-A Large equivalent warm-pressing explosive multi-structure integrated loading comprehensive experiment method 南京理工大学 2023-11-14 CN claimed
CN-116821224-A Early warning analysis model after gas pipeline is dug 安徽辉数物联科技有限公司 2023-09-29 CN claimed
CN-116205102-A System elastic recovery method and system based on improved ant colony algorithm 江苏科技大学 2023-06-02 CN claimed
CN-115628406-A Method and system for analyzing vapor cloud explosion hazard based on natural gas pipeline leakage 常州大学 2023-01-20 CN claimed
CN-115616031-A Transient high-overload explosive impact testing method 中国人民解放军92942部队 2023-01-17 CN claimed
CN-111932054-B Method for evaluating environmental adaptability of explosion hazard of electrical equipment emergency equipment 南京理工大学 2022-09-27 CN claimed
CN-115018261-A Rescue system and method for accident situation analysis and personnel dispatching 江苏蓝创智能科技股份有限公司 2022-09-06 CN claimed
CN-108707077-A The method for preparing TNT as raw material one-step method using nitrotoleune 中北大学 2018-10-26 CN claimed
WO-2015030730-A1 ENERGETIC COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION HALLIBURTON ENERGY SERVICES, INC. (US) 2015-03-05 WO claimed
US-20120082997-A1 TAGGANTS AND METHOD OF USING SAME TECHNION RESEARCH & DEVELOPMENT (IL) 2012-04-05 US claimed
CN-1243236-C Method for detecting solid explosive particles HEFEI INST INTELLIGENT MACH (CN) 2006-02-22 CN claimed
CN-1474179-A Method for detecting solid explosive particles 中国科学院合肥智能机械研究所 2004-02-11 CN claimed
CN-117892994-A Hydrogen pipeline risk assessment method and device, electronic equipment and storage medium 中国石油化工股份有限公司 2024-04-16 CN disclosed
CN-117575331-A Gas leakage early warning method and device, electronic equipment and storage medium 清华大学合肥公共安全研究院 2024-02-20 CN disclosed
CN-117495171-A Reliability evaluation method for urban underground gas pipe network 北京市科学技术研究院 2024-02-02 CN disclosed
CN-110866676-B Quantitative evaluation method for safety of initiating explosive device system 四川航天川南火工技术有限公司 2024-01-05 CN disclosed
EP-0502998-A4 EXPLOSIVE DETECTION SCREENING SYSTEM RES CORP TECHNOLOGIES INC (US) 1994-07-27 EP disclosed
EP-0502998-A1 EXPLOSIVE DETECTION SCREENING SYSTEM RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-09-16 EP disclosed
US-5038683-A High explosive assembly for projecting high velocity long rods THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1991-08-13 US disclosed
WO-1991009307-A1 EXPLOSIVE DETECTION SCREENING SYSTEM RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-06-27 WO disclosed