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Reactions Similar in Bond Changes to M0029

Please note, this page may take a while to load. This displays the reactions with similar (as calculated by a Tanimoto similarity) to the reaction M0029 at the level of the bond changes defined. The fingerprint from which the Tanimoto similarity score is calculated is continuous (i.e. it takes into account the number of different bond changes as well as the identity of the bond changes).


Reactive Centre (Manual (Composite) Annotation) of Target Reaction

Bonds Formed Bonds Cleaved Bonds Changed in Order Atom Types Involved
C-O
C-O
N-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
C-N
C-O
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
The C-O bond changes from a single to double bond
The C-O bond changes from a single to double bond
The C-O bond changes from a double to single bond
The C-O bond changes from a double to single bond
C
H
N
O

Key

1.0-0.9 0.9-0.8 0.8-0.7 0.7-0.6 0.6-0.5 0.5-0.4 0.4-0.3 0.3-0.2 0.2-0.1 0.1-0.0 =0

Results

Reactions identical to M0029

There are 0 identical reactions with respect to the bond changes.

Reactions similar to M0029

There are 25 similar (Tanimoto Score ≥ 0.65) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0092
1.1.1.22
0.110.62390.50890.5438Compare
M0227
1.1.1.271
00.66660.12850.4654Compare
M0013
1.4.99.3
0.330.66660.15050.5042Compare
M0113
1.5.3.1
0.300.59720.32720.5007Compare
M0208
1.10.2.2
0.040.60860.20760.4524Compare
M0239
1.11.1.7
0.180.654900.4438Compare
M0127
1.12.7.2
00.58590.21150.4337Compare
M0133
1.14.15.1
0.060.750.25610.5581Compare
M0138
1.15.1.1
00.571400.3714Compare
M0268
2.1.1.13
0.330.67560.10790.4994Compare
M0031
2.1.1.45
0.210.63220.26350.4982Compare
M0148
2.2.1.2
0.110.73870.64270.6519Compare
M0214
2.4.2.14
0.420.6320.07430.4722Compare
M0159
3.1.8.1
0.250.6910.16360.5150Compare
M0019
3.2.1.113
0.330.88780.21350.6637Compare
M0301
3.5.1.2
10.63960.24620.5772Compare
M0210
3.5.2.6
10.74250.01120.5854Compare
M0060
3.5.99.6
0.430.63470.24540.5176Compare
M0049
4.1.1.22
00.79220.23780.5743Compare
M0222
4.1.2.13
0.080.60730.43460.5117Compare
M0346
4.1.3.36
00.64610.12850.4520Compare
M0055
4.2.1.10
00.73420.10200.5027Compare
M0059
4.2.3.4
00.70930.22220.5165Compare
M0095
5.3.1.3
0.140.75650.2250.5622Compare
M0308
5.3.1.5
0.20.88140.2370.6521Compare

OVERVIEW OF ALL RESULTS

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