SCHEMBL4456862

SCHEMBL4456862

O=[N+]([O-])c1cccc(Oc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 1/20 0.59
LMNA P02545 2/20 0.59
TSHR P16473 1/20 0.59
PGR P06401 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.56
LTA4H P09960 1/20 0.56
PTGS2 P35354 1/20 0.56
TLR4 O00206 1/20 0.54
TLR2 O60603 1/20 0.54
FFAR1 O14842 2/20 0.54
LPAR3 Q9UBY5 1/20 0.53
NFE2L2 Q16236 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.53
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
NPY5R Q15761 1/20 0.51

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
SCHEMBL9356592 0.94 ALDH1A1 (0.67) ALDH1A1KDM4ELMNATSHRPGR
SCHEMBL9158141 0.94 ALDH1A1 (0.67) ALDH1A1KDM4ELMNATSHRPGR
SCHEMBL4203388 0.94 TSHR (0.67) ALDH1A1KDM4ELMNATSHRABCG2
SCHEMBL6273333 0.92 TSHR (0.64) ALDH1A1KDM4ELMNATSHRABCG2
SCHEMBL30043252 0.92 TSHR (0.64) ALDH1A1KDM4ELMNATSHRABCG2
SCHEMBL8374402 0.92 ABCG2 (0.56) ALDH1A1KDM4ELMNATSHRPGR
SCHEMBL9214229 0.91 ALDH1A1 (0.73) ALDH1A1KDM4ELMNATSHRPGR
SCHEMBL30042572 0.89 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRPGR
SCHEMBL8775401 0.89 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRPGR
Diphenylether SCHEMBL28998326 0.88 ALDH1A1 (0.73) ALDH1A1KDM4ELMNATSHRPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109956877-B Synthesis method of 1, 3-bis (3-aminophenoxy) benzene 宁波天泽新材料科技有限公司 2022-01-11 CN claimed
CN-1314339-A Method for preparing 1,3-di-(-3-nitrophenoxy) benzene SHANGHAI CITY SYNTHETIC RESIN (CN) 2001-09-26 CN claimed
EP-0477853-A1 Process and novel intermediate for the preparation of 3,4'-diaminodiphenyl ether Bromine Compounds Ltd. (IL) 1992-04-01 EP claimed
EP-0184256-B1 DIPHENYL ETHER HERBICIDES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-10-18 EP claimed
EP-0007471-B1 HERBICIDAL 3,4-DINITRO-DIPHENYL ETHERS, THEIR PREPARATION, HERBICIDAL COMPOSITIONS AND THEIR USE CIBA-GEIGY AG (CH) 1981-11-04 EP claimed
EP-0007471-A1 Herbicidal 3,4-dinitro-diphenyl ethers, their preparation, herbicidal compositions and their use CIBA-GEIGY AG (CH) 1980-02-06 EP claimed
JP-7118212-A None JP disclosed
JP-7206782-A None JP disclosed
JP-4247057-A None JP disclosed
CN-117384046-A Method for preparing aromatic primary amine by catalytic reduction of nitroaromatic hydrocarbon by using N-heterocyclic carbene copper complex 延安大学 2024-01-12 CN disclosed
CN-115624985-A Preparation method and application of high-efficiency catalyst Pd/N-SBA-15 陕西泰合利华工业有限公司 2023-01-20 CN disclosed
CN-115286519-A Preparation method of 4,4' -bis (3-aminophenoxy) biphenyl 浙江清和新材料科技有限公司 2022-11-04 CN disclosed
CN-109956877-B Synthesis method of 1, 3-bis (3-aminophenoxy) benzene 宁波天泽新材料科技有限公司 2022-01-11 CN disclosed
US-4288386-A Ullmann reaction for the synthesis of diaryl ethers RHONE-POULENC INDUSTRIES (FR) 1981-09-08 US disclosed
US-4278816-A FROM DIPHENYL ETHERS AND HYDROGEN SULFIDE, ABSORPTIVE CATALYST STAUFFER CHEMICAL COMPANY (US) 1981-07-14 US disclosed
EP-0021868-A1 Process for the preparation of diaryl ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1981-01-07 EP disclosed
EP-0014684-A2 2-Substituted 5-phenoxy-phenylphosphonic acid derivatives, process for preparing them and their use as herbicides CIBA-GEIGY AG (CH) 1980-08-20 EP disclosed
EP-0007471-A1 Herbicidal 3,4-dinitro-diphenyl ethers, their preparation, herbicidal compositions and their use CIBA-GEIGY AG (CH) 1980-02-06 EP disclosed
US-4042603-A SUBSTITUTED DIBENZOFURAN OR 9-FLUORENONE FROM A DIPHENYL ETHER OR BENZOPHENONE UBE INDUSTRIES, LTD. (JA) 1977-08-16 US disclosed
US-3983049-A Liquid crystal compositions with positive dielectric anisotropy GENERAL ELECTRIC COMPANY (US) 1976-09-28 US disclosed