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Compound database
Compounds similar to this structure
S
O
O
N
N
N
N
N
H
N
N
O
H
P
O
H
O
O
H
CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3.OP(=O)(O)O
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3 compounds score at least 30 % on Tanimoto similarity of circular fingerprints, most similar first.
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Acetal
1,237
Acid anhydride
153
Acyl halide
346
Alcohol
5,030
Aldehyde
976
Alkene
4,295
Alkyl halide
3,528
Alkyne
336
Amide
1,711
Amidine
147
Aryl halide
6,951
Azide
38
Azo
216
Boronic acid
331
Boronic ester
131
Carbamate
783
Carbonate
121
Carboxylic acid
5,872
Disulfide
135
Epoxide
261
Ester
4,335
Ether
6,748
Guanidine
237
Hydrazone
203
Imine
197
Isocyanate
120
Isothiocyanate
123
Ketone
2,952
Lactam
805
Lactone
454
Nitrile
1,312
Nitro
1,819
Oxime
208
Peroxide
60
Phenol
3,494
Phosphate
388
Phosphine
167
Phosphonate
139
Primary amine
4,553
Quaternary ammonium
327
Secondary amine
2,228
Silyl ether
233
Sulfide
1,006
Sulfonamide
468
Sulfonate ester
113
Sulfone
251
Sulfonic acid
735
Sulfoxide
55
Tertiary amine
2,667
Thiol
514
Urea
88
Vinyl halide
200
S
O
O
N
N
N
N
N
H
N
N
O
H
P
O
H
O
O
H
Baricitinib phosphate
1187595-84-1
100 % similar
S
O
O
N
N
N
N
N
H
N
N
Baricitinib
1187594-09-7
59 % similar
N
N
N
N
H
N
N
O
P
O
H
H
O
O
H
Jakafi
1092939-17-7
32 % similar