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Reactions Similar in Bond Changes to M0002

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 M0002 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
None
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 M0002

There are 26 identical reactions with respect to the bond changes.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0017
2.4.2.1
0.80.31420.11510.3130Compare
M0091
2.4.2.2
0.80.33330.36580.3880Compare
M0076
2.4.2.30
0.80.31250.13880.3178Compare
M0039
3.2.2.1
10.515100.4348Compare
M0071
3.2.2.3
10.45450.01350.3988Compare
M0313
3.2.2.21
10.176400.2146Compare
M0167
3.4.11.10
10.41930.12850.4046Compare
M0169
3.4.14.5
10.6410.15900.5564Compare
M0005
3.4.16.6
10.6410.19820.5662Compare
M0172
3.4.19.-
10.48570.0120.4187Compare
M0173
3.4.21.4
10.71420.15670.6034Compare
M0238
3.4.21.97
10.71420.25180.6271Compare
M0174
3.4.22.2
10.333300.3166Compare
M0175
3.4.23.16
10.621600.5040Compare
M0177
3.4.25.1
10.71420.33750.6486Compare
M0301
3.5.1.2
10.91480.26390.7605Compare
M0241
3.5.1.11
10.44180.01730.3914Compare
M0266
3.5.1.26
10.71420.14990.6017Compare
M0029
3.5.1.38
10.53840.16170.4903Compare
M0098
3.5.1.88
10.39390.090.3785Compare
M0288
3.5.1.93
10.77270.29990.6772Compare
M0210
3.5.2.6
10.86660.59630.8123Compare
M0016
3.5.2.6
10.67740.01630.5443Compare
M0258
3.5.2.6
10.15150.01120.2012Compare
M0257
3.5.2.6
10.83330.650.8041Compare
M0015
3.5.2.6
10.15150.0120.2014Compare

Reactions similar to M0002

There are 5 similar (Tanimoto Score ≥ 0.75) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0244
2.4.2.28
0.750.333300.2916Compare
M0168
3.4.13.19
0.750.419300.3475Compare
M0170
3.4.15.1
0.750.48570.14990.4281Compare
M0171
3.4.17.1
0.830.61290.11250.5098Compare
M0176
3.4.24.27
0.750.40540.090.3610Compare

OVERVIEW OF ALL RESULTS

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