SCHEMBL515530

SCHEMBL515530

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HCAR3 P49019 3/20 0.39
HTT P42858 1/20 0.39
GPR35 Q9HC97 1/20 0.39
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
CYP3A4 P08684 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 3/20 0.35
HSD17B10 Q99714 1/20 0.34
ALDH3A1 P30838 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL28056012 0.84 TSHR (0.55) TSHRMAPTALDH1A1KDM4EGPR35
SCHEMBL7861186 0.81 TSHR (0.41) TSHRMAPTALDH1A1KDM4EHCAR3
SCHEMBL11365798 0.77 TSHR (0.43) TSHRMAPTALDH1A1KDM4EHCAR3
SCHEMBL3302919 0.77 TSHR (0.56) TSHRALDH1A1GPR35TXNRD1TXNRD3
SCHEMBL28055935 0.73 HSD17B10 (0.50) TSHRALDH1A1GPR35MEN1KMT2A
SCHEMBL3306450 0.73 TDP1 (0.52) TSHRMAPTALDH1A1KDM4EHCAR3
SCHEMBL28981685 0.73 TSHR (0.46) TSHRMAPTALDH1A1KDM4EHCAR3
SCHEMBL27515575 0.73 MEN1 (0.43) TSHRMAPTALDH1A1KDM4EHCAR3
SCHEMBL9242110 0.71 ALDH1A1 (0.49) TSHRMAPTALDH1A1HCAR3HTT
SCHEMBL7052987 0.71 ALDH1A1 (0.49) TSHRMAPTALDH1A1KDM4EHCAR3

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 301 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
US-20220177388-A1 EXPLOSIVE COMPOSITION AND METHOD FOR MANUFACTURING SAME, AND METHOD FOR MANUFACTURING HETEROATOM-DOPED NANODIAMOND DAICEL CORPORATION (JP) 2022-06-09 US claimed
EP-3950110-A1 EXPLOSIVE COMPOSITION AND METHOD FOR MANUFACTURING SAME, AND METHOD FOR MANUFACTURING HETEROATOM-DOPED NANODIAMOND Daicel Corporation (JP) 2022-02-09 EP 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
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