SCHEMBL515531

SCHEMBL515531

O=[N+]([O-])NCc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
TSHR P16473 5/20 0.38
GPR35 Q9HC97 1/20 0.38
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 4/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
CES1 P23141 1/20 0.32
EGFR P00533 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
SCHEMBL2831050 0.79 TXNRD1 (0.46) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL1828132 0.77 TSHR (0.47) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL5249874 0.76 TXNRD1 (0.43) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL3302919 0.76 TSHR (0.56) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL11327230 0.76 TSHR (0.55) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL1557317 0.76 TXNRD1 (0.43) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL10659882 0.74 TXNRD1 (0.42) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL1132751 0.73 TXNRD1 (0.41) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL28070957 0.73 TSHR (0.43) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL7052983 0.72 SNCA (0.41) TSHRALDH1A1MAPTL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834383-B2 Energetic feedstock for additive manufacturing LYNNTECH, INC. (US) 2023-12-05 US claimed
CN-115735123-A Microelectronic sensor for detecting an analyte, device and method using a microelectronic sensor 拉姆医疗公司有限责任公司 2023-03-03 CN claimed
US-20210276931-A1 Energetic Feedstock for Additive Manufacturing LYNNTECH, INC. 2021-09-09 US claimed
WO-2020195998-A9 EXPLOSIVE COMPOSITION AND METHOD FOR MANUFACTURING SAME, AND METHOD FOR MANUFACTURING HETEROATOM-DOPED NANODIAMOND 株式会社ダイセル 2020-12-03 WO claimed
WO-2020195998-A1 EXPLOSIVE COMPOSITION AND METHOD FOR MANUFACTURING SAME, AND METHOD FOR MANUFACTURING HETEROATOM-DOPED NANODIAMOND 株式会社ダイセル 2020-10-01 WO claimed
CN-110612119-A Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2019-12-24 CN claimed
US-10201791-B2 Method for producing carbon particles by detonation KOBE STEEL, LTD. (JP) 2019-02-12 US claimed
US-10195575-B2 Graphite group, carbon particles containing said graphite group KOBE STEEL, LTD. (JP) 2019-02-05 US claimed
US-20180200686-A1 GRAPHITE GROUP, CARBON PARTICLES CONTAINING SAID GRAPHITE GROUP KABUSHIKI KAISHA KOBE SEIKO SHO (KOBE STEEL, LTD.) (JP) 2018-07-19 US claimed
EP-3318320-A1 GRAPHITE GROUP, CARBON PARTICLES CONTAINING SAID GRAPHITE GROUP Kabushiki Kaisha Kobe Seiko Sho (Kobe Steel, Ltd.) (JP) 2018-05-09 EP claimed
US-6227116-B1 SECONDARY EXPLOSIVE; IGNITION CHARGE FROM METAL FUEL AND OXIDANT OXIDE OF GROUP IV OR VI METAL; CONVECTIVE DEFLAGRATION NITRO NOBEL AB (SE) 2001-05-08 US claimed
EP-0869935-B1 PYROTECHNICAL CHARGE FOR DETONATORS DYNO NOBEL SWEDEN AB (SE) 2001-03-28 EP claimed
EP-0769309-A2 Extinguishing chain for fighting fires Dynamit Nobel GmbH Explosivstoff- und Systemtechnik (DE) 1997-04-23 EP claimed
EP-0289184-B1 LASER BEAM-DETONABLE BLASTING CAP NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-12-27 EP claimed
US-4898095-A Laser beam-detonatable blasting cap NIPPON OIL AND FATS COMPANY, LIMITED AND KAJIMA CORPORATION (JP) 1990-02-06 US claimed
US-4818309-A EXPLOSIVE WITH REMULSIFIER OF POLYALKYLENE SUCCINIC ACID; RETAINS MOULDABILITY AND SENSITIVITY ICI AUSTRALIA LIMITED (AU) 1989-04-04 US claimed
EP-0289184-A1 Laser beam-detonable blasting cap NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1988-11-02 EP claimed
US-4336085-A MODIFYING THE DETONATION VELOCITY WALKER FRANKLIN E 1982-06-22 US claimed
US-4304614-A AMMUNITION, DYNAMIC LASERS, FUSES, WELDING WALKER FRANKLIN E 1981-12-08 US claimed
US-3957550-A EXPLOSIVES, LIQUID FUELS, OXIDIZERS THIOKOL CORPORATION (US) 1976-05-18 US claimed