SCHEMBL845398

SCHEMBL845398

O=[N+]([O-])c1cccc(OP(=O)(Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
RECQL P46063 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
S100A4 P26447 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
HSPB1 P04792 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PTPRC P08575 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL845400 0.86 GPR35 (0.51) GPR35TSHRALDH1A1TDP1RECQL
SCHEMBL845399 0.86 GPR35 (0.51) GPR35TSHRALDH1A1TDP1RECQL
SCHEMBL11774371 0.84 TSHR (0.39) GPR35TSHRALDH1A1TDP1RECQL
SCHEMBL20587122 0.83 GPR35 (0.49) GPR35TSHRALDH1A1TDP1RECQL
SCHEMBL36924 0.83 ALDH1A1 (0.60) ALDH1A1TDP1RECQLNPC1RAB9A
SCHEMBL6136622 0.81 GPR35 (0.57) GPR35TSHRALDH1A1TDP1RECQL
SCHEMBL14053130 0.81 TDP1 (0.44) GPR35TSHRALDH1A1TDP1RECQL
SCHEMBL2438825 0.81 HPGD (0.47) GPR35TSHRALDH1A1TDP1RECQL
Hydrochloric Acid SCHEMBL29211442 0.80 GPR35 (0.49) GPR35TSHRALDH1A1TDP1RECQL
SCHEMBL1161927 0.79 TDP1 (0.71) GPR35TSHRALDH1A1TDP1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118388957-A Preparation method of nylon composite material for household appliance gasket 浙江浩南精密电子有限公司 2024-07-26 CN claimed
CN-113583152-B Cyclodextrin-europium molybdate/lanthanum hybrid microsphere, preparation method thereof and application thereof in fluorescent detection of phosphorus-containing compound 同济大学 2022-07-05 CN claimed
CN-113583152-A Cyclodextrin-europium molybdate/lanthanum hybrid microsphere, preparation method thereof and application thereof in fluorescent detection of phosphorus-containing compound 同济大学 2021-11-02 CN claimed
EP-2481760-B1 INITIATOR SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION METHOD USING SAME CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 EP claimed
CN-118388957-A Preparation method of nylon composite material for household appliance gasket 浙江浩南精密电子有限公司 2024-07-26 CN disclosed
WO-2024146005-A1 ISOBUTYLENE POLYMERIZATION INITIATION SYSTEM COMPOSITION, POLYMERIZATION METHOD AND USE 浙江信汇新材料股份有限公司 2024-07-11 WO disclosed
CN-116162188-B Isobutene polymerization initiation system composition, polymerization method and application 浙江信汇新材料股份有限公司 2024-01-26 CN disclosed
CN-117126307-A Preparation method and application of cyclodextrin-histidine/lanthanum-based complex 同济大学 2023-11-28 CN disclosed
CN-115418218-B Ultrathin Eu 3 + Preparation method and application of @ Cd-MOFs nano-sheet fluorescent material 巢湖学院 2023-09-19 CN disclosed
CN-116162188-A Isobutene polymerization initiation system composition, polymerization method and application 浙江信汇新材料股份有限公司 2023-05-26 CN disclosed
CN-115725010-A Preparation method of polyisobutylene with medium and high molecular weights, initiation system and application thereof 浙江信汇新材料股份有限公司 2023-03-03 CN disclosed
CN-113583152-B Cyclodextrin-europium molybdate/lanthanum hybrid microsphere, preparation method thereof and application thereof in fluorescent detection of phosphorus-containing compound 同济大学 2022-07-05 CN disclosed
EP-0172240-A4 BLOOD-FLUID COMPOSITION FOR CELL LYSIS SYSTEM. COOPER LIPOTECH INC (US) 1988-02-17 EP disclosed
US-4605630-A SURFACE LIGANDS; ENTRAPPED DYE; HIGH SPEED; VISIBILITY COOPER LIPOTECH INC. (US) 1986-08-12 US disclosed
EP-0172240-A1 BLOOD-FLUID COMPOSITION FOR CELL LYSIS SYSTEM COOPER-LIPOTECH, INC. (US) 1986-02-26 EP disclosed
WO-1985003778-A1 BLOOD-FLUID COMPOSITION FOR CELL LYSIS SYSTEM COOPER LIPOTECH, INC. (US) 1985-08-29 WO disclosed
EP-0152426-A1 LARGE-LIPOSOME AGGLUTINATION REAGENT AND METHOD COOPER-LIPOTECH, INC. (US) 1985-08-28 EP disclosed
EP-0139383-A1 Method for expressing foreign genes in schizosaccharomyces pombe and the use in therapeutic formulations of the products, DNA constructs and transformant strains of schizosaccharomyces pombe usable in such method and their preparation ZYMOGENETICS, INC. (US) 1985-05-02 EP disclosed
EP-0137633-A1 Method of expressing alpha-1-antitrypsin in bacteria and its use in therapeutic formulations, and vectors and bacteria for such method and their production ZYMOGENETICS, INC. (US) 1985-04-17 EP disclosed
WO-1985000664-A1 LARGE-LIPOSOME AGGLUTINATION REAGENT AND METHOD COOPER-LIPOTECH, INC. (US) 1985-02-14 WO disclosed