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Reactions Similar in Bond Changes to M0055

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 M0055 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
N-H
N-H
N-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
C-H
C-O
N-H
N-H
N-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-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 M0055

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

Reactions similar to M0055

There are 45 similar (Tanimoto Score ≥ 0.65) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0367
00Compare
M0092
1.1.1.22
0.140.57620.17650.4334Compare
M0227
1.1.1.271
0.280.69530.09460.5041Compare
M0103
1.1.3.38
0.290.58970.31450.4913Compare
M0274
1.2.3.3
0.160.62270.05420.4349Compare
M0306
1.3.7.6
0.160.7010.01180.4752Compare
M0304
1.4.1.13
0.10.62440.14110.4511Compare
M0110
1.4.3.3
0.20.63630.12850.4657Compare
M0111
1.4.7.1
00.7730.24300.5632Compare
M0013
1.4.99.3
0.210.79890.0140.5442Compare
M0120
1.5.1.20
0.270.64170.13100.4771Compare
M0237
1.5.1.33
0.130.67560.22020.5079Compare
M0113
1.5.3.1
0.20.64960.06140.4575Compare
M0115
1.5.99.12
0.230.54310.13900.4115Compare
M0117
1.6.2.4
0.280.478500.3395Compare
M0003
1.6.5.2
0.270.66150.12850.4893Compare
M0118
1.7.3.3
0.100.62830.05620.4329Compare
M0239
1.11.1.7
0.160.64110.40900.5356Compare
M0133
1.14.15.1
0.300.63180.10580.4678Compare
M0268
2.1.1.13
00.56890.06940.3871Compare
M0031
2.1.1.45
0.20.60.23990.4699Compare
M0219
2.2.1.1
0.080.65590.19870.4843Compare
M0148
2.2.1.2
0.10.6880.06620.4737Compare
M0214
2.4.2.14
0.220.65280.16960.4889Compare
M0243
2.6.99.2
0.260.62960.48000.5559Compare
M0159
3.1.8.1
00.80530.06590.5399Compare
M0162
3.1.25.1
0.370.79830.32130.6367Compare
M0301
3.5.1.2
00.61810.11030.4293Compare
M0029
3.5.1.38
00.73420.10200.5027Compare
M0038
3.5.4.16
0.230.50760.11990.3837Compare
M0181
3.11.1.1
00.74770.24860.5481Compare
M0215
4.1.1.1
00.66660.20340.4841Compare
M0049
4.1.1.22
00.88880.17050.6203Compare
M0252
4.1.1.48
0.360.62740.19910.4939Compare
M0225
4.1.1.50
00.65250.12640.4557Compare
M0222
4.1.2.13
0.270.56150.13630.4263Compare
M0221
4.1.2.38
00.6960.13010.4849Compare
M0346
4.1.3.36
0.330.56710.10850.4290Compare
M0230
4.2.1.24
0.280.640700.4445Compare
M0059
4.2.3.4
0.440.72610.36990.6088Compare
M0185
4.2.99.18
0.440.60170.00760.4374Compare
M0186
4.3.1.17
0.330.66660.07140.4844Compare
M0095
5.3.1.3
0.280.57140.06420.4160Compare
M0308
5.3.1.5
0.160.68910.05380.4780Compare
M0232
5.99.1.2
00.55170.39740.4579Compare

OVERVIEW OF ALL RESULTS

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