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Compound database
Compounds similar to this structure
N
N
N
H
2
N
O
N
N
N
O
N
CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
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5 compounds score at least 30 % on Tanimoto similarity of circular fingerprints, most similar first.
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Aryl halide
10,594
Ether
8,665
Carboxylic acid
7,810
Primary amine
6,334
Alcohol
6,116
Ester
5,565
Alkyl halide
4,988
Alkene
4,963
Phenol
4,105
Ketone
3,626
Tertiary amine
3,197
Secondary amine
2,898
Show all 52
Amide
2,627
Nitro
2,386
Nitrile
1,806
Carbamate
1,659
Acetal
1,499
Aldehyde
1,459
Sulfide
1,238
Lactam
1,122
Sulfonic acid
832
Boronic acid
677
Sulfonamide
568
Thiol
557
Lactone
527
Alkyne
443
Phosphate
437
Acyl halide
426
Quaternary ammonium
365
Guanidine
336
Sulfone
326
Epoxide
299
Boronic ester
289
Silyl ether
266
Oxime
252
Imine
236
Phosphine
236
Vinyl halide
231
Azo
227
Hydrazone
215
Isothiocyanate
193
Amidine
191
Acid anhydride
185
Phosphonate
176
Isocyanate
165
Disulfide
160
Sulfonate ester
141
Carbonate
136
Urea
135
Sulfoxide
64
Peroxide
62
Azide
55
N
N
N
H
2
N
O
N
N
N
O
N
Linagliptin
668270-12-0
100 % similar
N
O
N
H
2
N
N
N
O
Alogliptin
850649-61-5
37 % similar
N
O
N
H
2
N
N
F
N
O
Trelagliptin
865759-25-7
35 % similar
N
O
N
H
2
N
N
N
O
O
H
O
Alogliptin benzoate
850649-62-6
33 % similar
N
O
N
O
F
N
N
H
2
N
O
O
H
O
H
O
Trelagliptin succinate
1029877-94-8
32 % similar