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Reactions Similar in Bond Changes to M0168

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 M0168 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
N-H
C-N
O-H
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 M0168

There are 2 identical reactions with respect to the bond changes.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0170
3.4.15.1
10.6470.27180.5885Compare
M0176
3.4.24.27
10.33330.48670.4383Compare

Reactions similar to M0168

There are 32 similar (Tanimoto Score ≥ 0.75) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0017
2.4.2.1
0.660.3750.2250.3666Compare
M0091
2.4.2.2
0.660.42850.19430.3937Compare
M0076
2.4.2.30
0.660.800.5866Compare
M0039
3.2.2.1
0.750.44440.61730.5181Compare
M0071
3.2.2.3
0.750.50.24390.4609Compare
M0313
3.2.2.21
0.750.45450.31300.4486Compare
M0167
3.4.11.10
0.7510.02930.7323Compare
M0169
3.4.14.5
0.750.42850.25710.4178Compare
M0005
3.4.16.6
0.750.42850.360.4435Compare
M0171
3.4.17.1
0.880.6250.02620.5016Compare
M0172
3.4.19.-
0.750.55550.450.5485Compare
M0173
3.4.21.4
0.750.38460.39800.4244Compare
M0238
3.4.21.97
0.750.38460.14990.3624Compare
M0174
3.4.22.2
0.750.41170.180.3876Compare
M0175
3.4.23.16
0.750.56520.23770.5018Compare
M0177
3.4.25.1
0.750.38460.14990.3624Compare
M0240
3.5.1.-
0.80.40540.35150.4313Compare
M0301
3.5.1.2
0.750.320.01480.2867Compare
M0087
3.5.1.5
0.760.4090.53880.4774Compare
M0241
3.5.1.11
0.750.310300.2766Compare
M0266
3.5.1.26
0.750.384600.3249Compare
M0029
3.5.1.38
0.750.24770.09990.2609Compare
M0025
3.5.1.59
0.760.44180.16910.4063Compare
M0098
3.5.1.88
0.750.83330.00910.6189Compare
M0288
3.5.1.93
0.750.38460.14990.3624Compare
M0015
3.5.2.6
0.750.27270.01770.2566Compare
M0002
3.5.2.6
0.750.419300.3475Compare
M0210
3.5.2.6
0.750.428500.3535Compare
M0016
3.5.2.6
0.750.47360.31460.4614Compare
M0258
3.5.2.6
0.750.27270.31730.3315Compare
M0257
3.5.2.6
0.750.555500.4360Compare
M0097
3.5.4.5
0.750.636300.4885Compare

OVERVIEW OF ALL RESULTS

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