SCHEMBL2831050

SCHEMBL2831050

O=[N+]([O-])c1ccc(CCc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2[N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
TSHR P16473 6/20 0.44
GPR35 Q9HC97 3/20 0.44
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 6/20 0.38
CYP3A4 P08684 1/20 0.38
CYP1A2 P05177 2/20 0.37
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CES1 P23141 1/20 0.36
HPGD P15428 1/20 0.36
SNCA P37840 1/20 0.35

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
SCHEMBL28070957 0.88 TSHR (0.43) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL28070827 0.85 ALDH1A1 (0.44) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL1828132 0.85 TSHR (0.47) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL5249874 0.83 TXNRD1 (0.43) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL1557317 0.83 TXNRD1 (0.43) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL11327230 0.83 TSHR (0.55) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL3302919 0.83 TSHR (0.56) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL10659882 0.82 TXNRD1 (0.42) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL1132751 0.80 TXNRD1 (0.41) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL515531 0.79 TXNRD1 (0.40) TXNRD1TXNRD3TXNRD2TSHRGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218317-B The method and device that ethanol is reclaimed in a kind of hexanitrobibenzyl production 江苏九天高科技股份有限公司 2017-08-25 CN claimed
CN-106946711-A A kind of hexanitro Stilbene synthetic method 西安近代化学研究所 2017-07-14 CN claimed
CN-103694122-B One 2,2 ', 4,4 ', 6, the preparation method of 6 '-picryl sulfide base ethene XI'AN INST. OF MODERN CHEMISTRY (CN) 2016-05-25 CN claimed
CN-205099599-U Device that ethanol was retrieved in production of hexanitro bibenzyl JIANGSU NINE HEAVEN HIGH-TECH CO LTD 2016-03-23 CN claimed
CN-105218317-A A kind of method that in hexanitrobibenzyl production, ethanol reclaims and device JIANGSU NINE HEAVEN HIGH TECH CO LTD 2016-01-06 CN claimed
CN-104628573-A Method for synthesizing hexanitrostilbene from hexanitrobibenzil UNIV NORTH CHINA 2015-05-20 CN claimed
CN-103694122-A 2,2',4,4',6,6'-hexanitro diphenylethylene preparation method XIAN MODERN CHEMISTRY RES INST 2014-04-02 CN claimed
CN-102399150-B New method for synthesizing hexanitrobibenzyl UNIV NORTH CHINA 2014-04-02 CN claimed
US-4247724-A Process for preparing hexanitrobibenzyl THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1981-01-27 US claimed
US-4245129-A Process for preparing hexanitrobibenzyl THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1981-01-13 US claimed
CN-112899711-A Method for improving yield of hexanitrostilbene prepared by one-step method 南京理工大学 2021-06-04 CN disclosed
CN-112899711-A Method for improving yield of hexanitrostilbene prepared by one-step method 南京理工大学 2021-06-04 CN disclosed
CN-105218317-B The method and device that ethanol is reclaimed in a kind of hexanitrobibenzyl production 江苏九天高科技股份有限公司 2017-08-25 CN disclosed
CN-105218317-B The method and device that ethanol is reclaimed in a kind of hexanitrobibenzyl production 江苏九天高科技股份有限公司 2017-08-25 CN disclosed
CN-105218317-B The method and device that ethanol is reclaimed in a kind of hexanitrobibenzyl production 江苏九天高科技股份有限公司 2017-08-25 CN disclosed
EP-0132990-A2 Production of hexanitrostilbene (HNS) The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1985-02-13 EP disclosed
US-4247724-A Process for preparing hexanitrobibenzyl THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1981-01-27 US disclosed
US-4247724-A Process for preparing hexanitrobibenzyl THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1981-01-27 US disclosed
US-4245129-A Process for preparing hexanitrobibenzyl THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1981-01-13 US disclosed
US-4221746-A Preparation of hexanitrostilbene THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1980-09-09 US disclosed