SCHEMBL4737258

SCHEMBL4737258

CCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.67
TSHR P16473 1/20 0.60
KCNJ1 P48048 2/20 0.56
MAPT P10636 2/20 0.54
LOXL2 Q9Y4K0 1/20 0.53
ALDH1A1 P00352 2/20 0.53
CA2 P00918 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP2C19 P33261 1/20 0.52
HRH3 Q9Y5N1 1/20 0.50
FAAH O00519 1/20 0.50
MGLL Q99685 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
EIF4A1 P60842 1/20 0.49
STING1 Q86WV6 1/20 0.49
IDO1 P14902 1/20 0.48

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
Ammonia Solution, Strong SCHEMBL18045530 0.98 KCNH2 (0.65) KCNH2TSHRKCNJ1MAPTLOXL2
SCHEMBL680595 0.94 KCNH2 (0.74) KCNH2TSHRKCNJ1MAPTLOXL2
SCHEMBL6678908 0.92 KCNH2 (0.77) KCNH2TSHRKCNJ1MAPTLOXL2
SCHEMBL4190401 0.92 KCNH2 (0.77) KCNH2TSHRKCNJ1MAPTLOXL2
SCHEMBL11075250 0.92 KCNH2 (0.77) KCNH2TSHRKCNJ1MAPTLOXL2
SCHEMBL25174460 0.92 KCNH2 (0.77) KCNH2TSHRKCNJ1MAPTLOXL2
SCHEMBL25171490 0.92 KCNH2 (0.77) KCNH2TSHRKCNJ1MAPTLOXL2
SCHEMBL4310058 0.92 KCNH2 (0.77) KCNH2TSHRKCNJ1MAPTLOXL2
SCHEMBL8743949 0.92 KCNH2 (0.77) KCNH2TSHRKCNJ1MAPTLOXL2
SCHEMBL1881781 0.92 KCNH2 (0.77) KCNH2TSHRKCNJ1MAPTLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116710487-A Method for improving the viscosity of recycled polyethylene 昕特玛粘合剂技术有限公司 2023-09-05 CN claimed
WO-2023156832-A1 A PROCESS FOR PREPARATION OF HIGHLY PURE 4-(N-BUTYL) ANILINE VINATI ORGANICS LIMITED (IN) 2023-08-24 WO claimed
CN-108026680-B Meltblown webs with improved properties 博里利斯股份公司 2020-12-08 CN claimed
CN-106995374-B Method for preparing nitroaromatic acid/nitro alpha-aryl alcohol by oxidizing substituted alkyl nitrobenzene with oxygen 浙江工业大学 2019-11-29 CN claimed
CN-106995374-A Method for preparing nitroaromatic acid/nitro alpha-aryl alcohol by oxidizing substituted alkyl nitrobenzene with oxygen 浙江工业大学 2017-08-01 CN claimed
CN-101631807-B A cross-linking agent BOREALIS TECH OY FI 2013-05-29 CN claimed
CN-101631807-A Linking agent BOREALIS TECH OY 2010-01-20 CN claimed
WO-2008083822-A1 A CROSS-LINKING AGENT BOREALIS TECHNOLOGY OY (FI) 2008-07-17 WO claimed
US-6255542-B1 RING CHLORINATING 4-NITROALKYLBENZENE WITH CHLORINE OR CHLORING-RELEASING AGENT IN A LIQUID PHASE AND IN THE PRESENCE OF A FRIEDEL-CRAFTS CATALYST AND A DIARYL SULFIDE CO-CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2001-07-03 US claimed
CN-1286244-A Method for preparing 2-chloro-4-nitroalkylbenzene BAYER AG (DE) 2001-03-07 CN claimed
EP-1078914-A1 Process for the preparation of 2-chloro-4-nitroalkylbenzene BAYER AG (DE) 2001-02-28 EP claimed
CN-117157354-A Polyolefin composition comprising recycled polyolefin 昕特玛粘合剂技术有限公司 2023-12-01 CN disclosed
WO-2023224371-A1 NOVEL OXADIAZOLE DERIVATIVE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROINFLAMMATORY DISEASES COMPRISING SAME (주)셀로스바이오텍 2023-11-23 WO disclosed
CN-117043250-A Recycled polyolefin compositions comprising random alpha-olefin copolymer and additional polymer 昕特玛粘合剂技术有限公司 2023-11-10 CN disclosed
CN-116917403-A Process for preparing polyolefin compositions comprising reclaimed polyolefin 昕特玛粘合剂技术有限公司 2023-10-20 CN disclosed
EP-0399293-A1 Process for preparing 2-chloro-4-nitro-alkylbenzene BAYER AG (DE) 1990-11-28 EP disclosed
US-4562280-A WITH CHLOROMETHYL ALKYL ETHER IN PRESENCE OF CATALYIC FERRIC OR STANNIC CHLORIDE THE DOW CHEMICAL COMPANY (US) 1985-12-31 US disclosed
US-4327036-A FOR AROMATIC NUCLEUS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-04-27 US disclosed
EP-0000784-B1 4-HYDROXY-2-BENZIMIDAZOLINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS Roche Diagnostics GmbH (DE) 1981-08-26 EP disclosed
US-4051168-A TO FORM FLUOROALKYL AROMATIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-09-27 US disclosed