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Reactions Similar in Bond Changes to M0222

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 M0222 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-C
C-N
C-O
C-O
N-H
N-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
C-H
C-N
C-O
N-H
N-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
The C-C bond changes from a single to double bond
The C-N bond changes from a single to double bond
The C-N bond changes from a single to double bond
The C-O bond changes from a single to double bond
The C-C bond changes from a double to single bond
The C-N bond changes from a double to single bond
The C-N bond changes from a double to single bond
The C-O bond changes from a double to single 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 M0222

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

Reactions similar to M0222

There are 15 similar (Tanimoto Score ≥ 0.65) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0013
1.4.99.3
0.160.74920.10580.5300Compare
M0320
1.8.5.-
0.130.70550.17130.5149Compare
M0208
1.10.2.2
0.070.82760.41530.6489Compare
M0239
1.11.1.7
0.120.65170.01280.4393Compare
M0127
1.12.7.2
00.44950.52770.4241Compare
M0133
1.14.15.1
0.310.75760.06440.5397Compare
M0031
2.1.1.45
0.220.80160.27680.6124Compare
M0148
2.2.1.2
0.360.92810.47620.7586Compare
M0082
2.6.1.16
0.210.62360.43170.5346Compare
M0243
2.6.99.2
0.190.72520.14540.5273Compare
M0029
3.5.1.38
0.080.60730.43460.5117Compare
M0049
4.1.1.22
00.66060.46550.5457Compare
M0055
4.2.1.10
0.270.56150.13630.4263Compare
M0059
4.2.3.4
0.210.68450.42570.5727Compare
M0308
5.3.1.5
0.10.64370.27010.4959Compare

OVERVIEW OF ALL RESULTS

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