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Reactions Similar in Bond Changes to M0096

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 M0096 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 Annotation) of Target Reaction

Bonds Formed Bonds Cleaved Bonds Changed in Order Atom Types Involved
C=O
N-H
C-N
O-H
O-H
The C-N 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 M0096

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

Reactions similar to M0096

There are 4 similar (Tanimoto Score ≥ 0.75) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0114
1.5.8.2
0.770.43750.12850.3942Compare
M0087
3.5.1.5
0.750.78260.14990.6211Compare
M0025
3.5.1.59
0.750.263100.2460Compare
M0097
3.5.4.5
0.90.35290.450.4318Compare

OVERVIEW OF ALL RESULTS

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