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Reactions Similar in Bond Changes to M0238

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 M0238 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
N-H
N-H
O-H
C-N
C-O
N-H
N-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 M0238

There are 5 identical reactions with respect to the bond changes.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0169
3.4.14.5
10.86660.25860.7279Compare
M0005
3.4.16.6
10.86660.29560.7371Compare
M0173
3.4.21.4
110.24550.8113Compare
M0177
3.4.25.1
110.29990.8249Compare
M0266
3.5.1.26
110.25000.8125Compare

Reactions similar to M0238

There are 17 similar (Tanimoto Score ≥ 0.65) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0248
1.11.1.10
00.69230.29190.5229Compare
M0291
2.3.1.39
00.72410.40210.5711Compare
M0091
2.4.2.2
0.80.63630.55520.6323Compare
M0218
3.1.1.3
0.330.8620.29190.6666Compare
M0094
3.1.1.47
0.330.75750.30260.6013Compare
M0170
3.4.15.1
0.750.41930.23990.4075Compare
M0172
3.4.19.-
10.46660.01610.4073Compare
M0176
3.4.24.27
0.750.62960.14420.5202Compare
M0240
3.5.1.-
0.610.51110.22490.4499Compare
M0301
3.5.1.2
10.640.10580.5424Compare
M0087
3.5.1.5
0.540.67850.360.5855Compare
M0241
3.5.1.11
10.68750.12850.579Compare
M0288
3.5.1.93
10.70730.27680.6289Compare
M0002
3.5.2.6
10.71420.25180.6271Compare
M0096
3.5.3.3
0.50.76920.11990.5799Compare
M0180
3.7.1.2
0.330.69230.23370.5417Compare
M0234
6.3.5.2
0.280.70.10580.5100Compare

OVERVIEW OF ALL RESULTS

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