SCHEMBL221587

SCHEMBL221587

COc1ccccc1C(Cl)(c1ccccc1)c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA4 P22748 1/20 0.46
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR3C2 P08235 1/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL221217 0.96 CA1 (0.46) CA1CA2CA7CA9CA12
Pyridine SCHEMBL6531369 0.90 CYP19A1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL2445298 0.87 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL11862713 0.84 CA1 (0.46) CA1CA2CA7CA9CA12
Styrene SCHEMBL7259237 0.84 ALDH1A1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL30388593 0.82 NFE2L2 (0.42) CA1CA2CA7CA9CA12
SCHEMBL221588 0.82 NFE2L2 (0.42) CA1CA2CA7CA9CA12
SCHEMBL8030506 0.81 CA1 (0.43) CA1CA2CA7CA9CA12
Chlorotriphenylmethane SCHEMBL27667603 0.80 NFE2L2 (0.41) CA1CA2CA7CA9CA12
SCHEMBL27965943 0.79 CA1 (0.50) CA1CA2CA7CA9CA12

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

Appears in 3816 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504882-A Synthesis method of GalNAc derivative 北京炫景瑞医药科技有限公司 2025-02-25 CN claimed
CN-119019354-A Compound and preparation method and application thereof 北京炫景瑞医药科技有限公司 2024-11-26 CN claimed
CN-118994172-A Preparation method of poncirtinib phosphate 广州科锐特生物科技有限公司 2024-11-22 CN claimed
US-12065461-B2 Method for preparing 3′-O-amino-2′-deoxyribonucleoside-5′-triphosphate DNA SCRIPT (FR) 2024-08-20 US claimed
CN-115181147-B Preparation method of C4 '-trifluoromethylthio modified nucleoside and C4' -trifluoromethylthio modified nucleic acid 南开大学 2024-04-02 CN claimed
CN-117551155-B Synthesis method of 5'-O-DMT-2' -O-propynyl-uridine 苏州诺维康生物科技有限公司 2024-03-29 CN claimed
CN-117510564-B Synthesis method of medical intermediate N2-Ac-5'-O-DMT-2' -O-propargyl guanosine 苏州诺维康生物科技有限公司 2024-03-08 CN claimed
CN-117551155-A Synthesis method of 5'-O-DMT-2' -O-propynyl-uridine 苏州诺维康生物科技有限公司 2024-02-13 CN claimed
CN-117510564-A Synthesis method of medical intermediate N2-Ac-5'-O-DMT-2' -O-propargyl guanosine 苏州诺维康生物科技有限公司 2024-02-06 CN claimed
CN-115710165-B Method for preparing 4,4' -dimethoxy trityl chloride by utilizing oligonucleotide synthesis waste liquid 北京擎科生物科技有限公司 2023-05-26 CN claimed
EP-1250157-A1 ANTISENSE MODULATION OF INDUCIBLE NITRIC OXIDE SYNTHASE EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2002-10-23 EP claimed
US-6288221-B1 REPLACING NUCLEOSIDE WITH DIMETHOXYTRITYL, PHOSPHORAMIDITE, OR HALONUCLEOSIDE DERIVATIVE; ELECTROCHEMICAL OR PHOTOCHEMICAL DETECTION OF NUCLEIC ACID SEQUENCES DUKE UNIVERSITY 2001-09-11 US claimed
WO-2001052902-A1 ANTISENSE MODULATION OF INDUCIBLE NITRIC OXIDE SYNTHASE EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2001-07-26 WO claimed
WO-2000075154-A2 PROTECTED NUCLEOSIDES ALLIEDSIGNAL INC. (US) 2000-12-14 WO claimed
WO-2000004866-A9 PREPARATION OF THIOARABINOFURANOSYL COMPOUNDS AND USE THEREOF SOUTHERN RES INST (US) 2000-08-10 WO claimed
US-5637683-A REACTING AN AMINE HAVING BASE SELECTED FROM URACIL, ADENINE, GUANINE, CYTOSINE, THYMINE, OR HYPOXANTHINE, WITH PENTAFLUOROPHENYL ESTER DERIVATIVE TO FORM INTERMEDIATE, REACTING INTERMEDIATE WITH ADDITIONAL AMINE CORNELL RESEARCH FOUNDATION, INC. (US) 1997-06-10 US claimed
US-5631360-A MULTISTAGE SYNTHESIS, TREATMENT OF NUCLEOSIDES, ADDING A N-PHTHALOYL GROUP, DEPROTECTING THE HYDROXY, TRITYLATION AND PHOSPHITYLATION RIBOZYME PHARMACEUTICALS, INC. (US) 1997-05-20 US claimed
US-5198540-A Sequential linking of nucleotides to a carrier molecule, releasing, chromatographic separation PERSEPTIVE BIOSYSTEMS, INC. 1993-03-30 US claimed
US-4837312-A Chelator-functionalized nucleosides and nucleotides and methods for making same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1989-06-06 US claimed
US-4800166-A TRITYL HALIDE OR CARVOXYLATE TO BIND WITH FREE AMINO GROUPS APPLIED PROTEIN TECHNOLOGIES, INC. (US) 1989-01-24 US claimed