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Reactions Similar in Bond Changes to M0050

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 M0050 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-H
C-C
The C-O bond changes from a single to double bond
C
H
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 M0050

There are 3 identical reactions with respect to the bond changes.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0049
4.1.1.22
0.60.08330.01640.1182Compare
M0070
4.1.1.41
0.60.166600.1682Compare
M0236
4.1.1.85
0.60.33330.47880.3963Compare

Reactions similar to M0050

There are 6 similar (Tanimoto Score ≥ 0.75) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0215
4.1.1.1
0.750.06350.15110.1540Compare
M0220
4.1.1.7
0.750.10520.01350.1467Compare
M0225
4.1.1.50
0.50.067800.0940Compare
M0217
4.1.2.37
0.750.20.38560.3014Compare
M0221
4.1.2.38
0.750.10340.0150.1459Compare
M0182
4.1.3.30
0.60.20.2250.2462Compare

OVERVIEW OF ALL RESULTS

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