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Reactions Similar in Bond Changes to M0237

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 M0237 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-H
C-H
N-H
N-H
O-H
O-H
O-H
O-H
C-H
C-H
O-H
O-H
O-H
O-H
O-H
O-H
The C-C bond changes from a single to double bond
The C-C bond changes from a single to double bond
The C-N bond changes from a single to double bond
The C-N bond changes from a single to double bond
The C-N 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 single to double bond
The C-C bond changes from a double to single bond
The C-C bond changes from a double to single bond
The C-N bond changes from a double to single bond
The C-N bond changes from a double to single bond
The C-N 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

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 M0237

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

Reactions similar to M0237

There are 34 similar (Tanimoto Score ≥ 0.65) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0353
00Compare
M0328
00Compare
M0256
1.1.1.1
0.40.56660.01270.4114Compare
M0092
1.1.1.22
0.580.77770.130.5968Compare
M0093
1.1.1.34
0.620.62710.14990.5075Compare
M0227
1.1.1.271
0.320.60970.090.4510Compare
M0103
1.1.3.38
0.040.4960.61740.4814Compare
M0274
1.2.3.3
00.554700.3605Compare
M0119
1.2.7.1
00.58570.15700.4199Compare
M0306
1.3.7.6
0.370.50880.360.4577Compare
M0110
1.4.3.3
0.100.626600.4181Compare
M0111
1.4.7.1
0.130.51970.06920.3684Compare
M0013
1.4.99.3
0.110.48360.21730.3797Compare
M0112
1.5.1.3
0.630.66030.21950.5477Compare
M0120
1.5.1.20
0.480.60390.17720.4848Compare
M0113
1.5.3.1
0.100.696900.4637Compare
M0115
1.5.99.12
0.250.59210.19860.4601Compare
M0117
1.6.2.4
0.330.490.180.3968Compare
M0003
1.6.5.2
0.370.580.180.4598Compare
M0139
1.17.1.4
0.50.53080.13800.4295Compare
M0031
2.1.1.45
0.320.44490.46940.4387Compare
M0289
2.2.1.6
00.55880.01030.3657Compare
M0159
3.1.8.1
00.64040.29990.4912Compare
M0162
3.1.25.1
0.150.60820.27040.4783Compare
M0090
3.3.1.1
00.66660.13840.4678Compare
M0060
3.5.99.6
0.140.63630.25710.4925Compare
M0181
3.11.1.1
0.060.58130.26780.4514Compare
M0226
3.13.1.1
00.70830.15850.5000Compare
M0049
4.1.1.22
0.060.6090.09990.4272Compare
M0221
4.1.2.38
0.060.60410.01190.4023Compare
M0055
4.2.1.10
0.130.67560.22020.5079Compare
M0228
4.2.1.46
0.130.69620.33190.5488Compare
M0059
4.2.3.4
0.050.64530.090.4478Compare
M0095
5.3.1.3
0.140.68670.2250.5168Compare

OVERVIEW OF ALL RESULTS

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