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Compound database

Compounds similar to this structure

CC#CC(=O)N1CC[C@H](C1)N2C3=NC=NC(=C3N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N.ClEdit in Covalent

3 compounds score at least 30 % on Tanimoto similarity of circular fingerprints, most similar first.

Aryl halide10,422 Ether8,559 Carboxylic acid7,736 Primary amine6,442 Alcohol6,053 Ester5,501 Alkyl halide4,921 Alkene4,909 Phenol3,888 Ketone3,598 Amide3,223 Tertiary amine3,162

Show all 52

Secondary amine2,890 Nitro2,369 Carbamate1,923 Nitrile1,781 Acetal1,473 Aldehyde1,431 Sulfide1,226 Lactam1,206 Sulfonic acid829 Boronic acid660 Sulfonamide565 Lactone522 Thiol453 Alkyne438 Phosphate435 Acyl halide423 Quaternary ammonium361 Guanidine337 Sulfone322 Epoxide299 Boronic ester273 Silyl ether266 Oxime244 Phosphine234 Azo230 Vinyl halide230 Imine222 Urea218 Isothiocyanate189 Amidine187 Acid anhydride185 Hydrazone180 Phosphonate175 Isocyanate165 Disulfide159 Sulfonate ester141 Carbonate136 Sulfoxide63 Peroxide62 Azide52

Ono-4059 (hydrochloride)1439901-97-9100 % similar Tirabrutinib1351636-18-496 % similar Ibrutinib936563-96-139 % similar

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