SCHEMBL188308

SCHEMBL188308

O=[N+]([O-])CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
KCNJ1 P48048 6/20 0.61
KCNH2 Q12809 5/20 0.61
LOXL2 Q9Y4K0 1/20 0.57
HRH3 Q9Y5N1 1/20 0.53
IDO1 P14902 3/20 0.52
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.50
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL17541809 0.89 TSHR (0.46) TSHRKCNJ1KCNH2LOXL2HRH3
SCHEMBL3292782 0.86 TSHR (0.75) TSHRKCNJ1KCNH2LOXL2HRH3
SCHEMBL18913824 0.82 TSHR (0.69) TSHRKCNJ1KCNH2LOXL2HRH3
SCHEMBL30758863 0.82 TSHR (0.69) TSHRKCNJ1KCNH2LOXL2HRH3
SCHEMBL8094543 0.80 POLB (0.68) TSHRKCNJ1KCNH2LOXL2HRH3
SCHEMBL250472 0.80 TSHR (0.67) TSHRKCNJ1KCNH2LOXL2HRH3
SCHEMBL2588477 0.80 TSHR (0.67) TSHRKCNJ1KCNH2LOXL2HRH3
SCHEMBL19396020 0.78 TAAR1 (0.46) TSHRKCNJ1KCNH2CRHBPCRHR2
SCHEMBL4543334 0.78 ESR1 (0.54) TSHRALDH1A1CYP2C19SIGMAR1
SCHEMBL12708608 0.78 TSHR (0.48) TSHRKCNJ1KCNH2LOXL2IDO1

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 55 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-20210276931-A1 Energetic Feedstock for Additive Manufacturing LYNNTECH, INC. 2021-09-09 US claimed
EP-1321505-A2 Gelled propellant, process for the preparation of a gelled propellant and its use Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2003-06-25 EP claimed
US-5786448-A FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-07-28 US claimed
WO-1998019693-A1 COMBINATORIAL LIBRARIES OF CYCLIC UREA AND CYCLIC THIOUREA DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-05-14 WO claimed
CN-117986153-A Ionizable cationic lipid compound, and preparation method and application thereof 晟迪生物医药(苏州)有限公司 2024-05-07 CN disclosed
CN-117924177-A Preparation method of pazopanib intermediate 2, 3-dimethyl-6-amino-2H-indazole and analogues thereof 南京杰运医药科技有限公司 2024-04-26 CN disclosed
US-11834383-B2 Energetic feedstock for additive manufacturing LYNNTECH, INC. (US) 2023-12-05 US disclosed
CN-110023322-B Novel bicyclic nucleosides and oligomers prepared therefrom 伯尔尼大学 2023-10-27 CN disclosed
CN-114539064-A Synthesis method of 4-nitrophenylethane 南通大学 2022-05-27 CN disclosed
CN-113408564-A Graph processing method, network training method, device, equipment and storage medium 腾讯科技(深圳)有限公司 2021-09-17 CN disclosed
US-20210276931-A1 Energetic Feedstock for Additive Manufacturing LYNNTECH, INC. 2021-09-09 US disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP disclosed
WO-2000069830-A1 DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2000-11-23 WO disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
US-5786448-A FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-07-28 US disclosed
WO-1998019693-A1 COMBINATORIAL LIBRARIES OF CYCLIC UREA AND CYCLIC THIOUREA DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-05-14 WO disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
US-3971825-A (5,6) (10,11) BIS-METHYLENE, BRONCHODILATORS SANKYO COMPANY LIMITED (JA) 1976-07-27 US disclosed