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Reactions Similar in Bond Changes to M0078

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 M0078 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-O
N-H
O-H
O-H
S-H
C-H
C-S
N-H
O-H
O-H
The C-C 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-O bond changes from a double to single bond
The C-O bond changes from a double to single bond
C
H
N
O
S

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 M0078

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

Reactions similar to M0078

There are 9 similar (Tanimoto Score ≥ 0.65) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0100
1.2.1.8
0.250.533300.3716Compare
M0053
2.3.3.9
0.880.9090.180.7247Compare
M0345
3.1.2.4
0.50.64280.08180.4882Compare
M0052
4.1.2.13
0.380.66660.12510.5026Compare
M0010
4.2.1.60
0.180.53330.33750.4492Compare
M0184
4.2.2.2
0.20.461500.3199Compare
M0273
5.1.3.4
00.62960.12850.4413Compare
M0324
5.3.1.1
0.40.64280.38560.5542Compare
M0269
5.5.1.1
0.10.615300.4099Compare

OVERVIEW OF ALL RESULTS

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