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Reactions Similar in Bond Changes to M0301

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 M0301 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 M0301

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
0.80.25920.02290.2542Compare
M0091
2.4.2.2
0.80.26920.19990.3049Compare
M0076
2.4.2.30
0.80.25490.25710.3099Compare
M0039
3.2.2.1
10.469300.4050Compare
M0071
3.2.2.3
10.37250.2250.3983Compare
M0313
3.2.2.21
10.14810.25710.2605Compare
M0167
3.4.11.10
10.320.01370.3114Compare
M0169
3.4.14.5
10.59250.49990.6101Compare
M0005
3.4.16.6
10.59250.32670.5668Compare
M0172
3.4.19.-
10.37030.01110.3434Compare
M0173
3.4.21.4
10.640.07910.5357Compare
M0238
3.4.21.97
10.640.10580.5424Compare
M0174
3.4.22.2
10.296200.2925Compare
M0175
3.4.23.16
10.547100.4556Compare
M0177
3.4.25.1
10.640.16870.5581Compare
M0241
3.5.1.11
10.42370.19990.4253Compare
M0266
3.5.1.26
10.640.07940.5358Compare
M0029
3.5.1.38
10.63960.24620.5772Compare
M0098
3.5.1.88
10.30760.01180.3028Compare
M0288
3.5.1.93
10.78570.180.6557Compare
M0002
3.5.2.6
10.91480.26390.7605Compare
M0210
3.5.2.6
10.89280.19620.7293Compare
M0016
3.5.2.6
10.574400.4733Compare
M0258
3.5.2.6
10.1320.25710.2500Compare
M0257
3.5.2.6
10.72540.49080.6942Compare
M0015
3.5.2.6
10.1320.01250.1889Compare

Reactions similar to M0301

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
0.750.269200.2499Compare
M0168
3.4.13.19
0.750.320.01480.2867Compare
M0170
3.4.15.1
0.750.4230.14990.3874Compare
M0171
3.4.17.1
0.830.500.4083Compare
M0176
3.4.24.27
0.750.37030.19990.3656Compare

OVERVIEW OF ALL RESULTS

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