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Compound database
Compounds similar to this structure
O
O
N
N
O
N
P
O
O
H
H
O
N
H
F
F
F
F
F
F
F
C[C@@H](O[C@H]1OCCN(Cc2nc(=O)n(P(=O)(O)O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Edit in Covalent
5 compounds score at least 30 % on Tanimoto similarity of circular fingerprints, most similar first.
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Acetal
1,197
Acid anhydride
150
Acyl halide
336
Alcohol
4,908
Aldehyde
946
Alkene
4,219
Alkyl halide
3,388
Alkyne
323
Amide
1,602
Amidine
143
Aryl halide
6,640
Azide
34
Azo
216
Boronic acid
291
Boronic ester
122
Carbamate
652
Carbonate
120
Carboxylic acid
5,662
Disulfide
131
Epoxide
260
Ester
4,235
Ether
6,542
Guanidine
223
Hydrazone
202
Imine
195
Isocyanate
117
Isothiocyanate
119
Ketone
2,901
Lactam
772
Lactone
443
Nitrile
1,269
Nitro
1,764
Oxime
205
Peroxide
60
Phenol
3,439
Phosphate
385
Phosphine
159
Phosphonate
135
Primary amine
4,407
Quaternary ammonium
322
Secondary amine
2,161
Silyl ether
227
Sulfide
981
Sulfonamide
458
Sulfonate ester
110
Sulfone
243
Sulfonic acid
720
Sulfoxide
54
Tertiary amine
2,600
Thiol
508
Urea
83
Vinyl halide
198
O
O
N
N
O
N
P
O
O
H
H
O
N
H
F
F
F
F
F
F
F
Fosaprepitant
172673-20-0
100 % similar
N
H
O
H
O
H
O
H
O
H
O
H
O
O
N
N
O
N
P
O
O
H
H
O
N
H
F
F
F
F
F
F
F
Fosaprepitant dimeglumine
265121-04-8
79 % similar
F
F
F
F
F
F
O
N
O
N
H
N
O
N
H
F
(R,R,R)-Aprepitant
1148113-53-4
65 % similar
F
F
F
F
F
F
O
N
O
N
H
N
O
N
H
F
(1S,2R,3R)-Aprepitant
1242175-34-3
65 % similar
O
O
N
N
H
O
N
N
H
F
F
F
F
F
F
F
Aprepitant
170729-80-3
65 % similar