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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 (Composite) Annotation) of Target Reaction

Bonds Formed Bonds Cleaved Bonds Changed in Order Atom Types Involved
C-O
C-O
N-H
N-H
O-H
O-H
O-H
C-N
C-O
N-H
O-H
O-H
O-H
O-H
The C-O 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 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 M0002

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

Reactions similar to M0002

There are 36 similar (Tanimoto Score ≥ 0.65) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0351
00Compare
M0099
1.1.99.8
0.160.69040.01860.4700Compare
M0250
1.11.1.10
00.68620.090.4685Compare
M0248
1.11.1.10
00.72090.180.5135Compare
M0268
2.1.1.13
0.330.64910.25320.5185Compare
M0214
2.4.2.14
0.420.72300.5128Compare
M0218
3.1.1.3
0.330.77140.19750.5841Compare
M0094
3.1.1.47
0.330.69230.180.5283Compare
M0345
3.1.2.4
0.330.70580.09580.5160Compare
M0158
3.1.6.8
0.140.68880.26880.5292Compare
M0039
3.2.2.1
10.515100.4348Compare
M0169
3.4.14.5
10.6410.15900.5564Compare
M0170
3.4.15.1
0.750.48570.14990.4281Compare
M0005
3.4.16.6
10.6410.19820.5662Compare
M0171
3.4.17.1
0.830.61290.11250.5098Compare
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
M0175
3.4.23.16
10.621600.5040Compare
M0177
3.4.25.1
10.71420.33750.6486Compare
M0240
3.5.1.-
0.610.688800.5092Compare
M0301
3.5.1.2
10.91480.26390.7605Compare
M0266
3.5.1.26
10.71420.14990.6017Compare
M0025
3.5.1.59
0.540.56360.20080.4710Compare
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
M0257
3.5.2.6
10.83330.650.8041Compare
M0097
3.5.4.5
0.50.57890.15180.4642Compare
M0284
3.5.5.8
0.330.60780.23750.4877Compare
M0060
3.5.99.6
0.430.62710.09730.4756Compare
M0181
3.11.1.1
0.140.5820.16360.4334Compare
M0085
4.2.3.3
0.110.53840.00950.3634Compare
M0269
5.5.1.1
0.160.58820.31400.4774Compare
M0234
6.3.5.2
0.280.58330.16750.4495Compare
M0302
6.3.5.4
0.330.687500.4802Compare

OVERVIEW OF ALL RESULTS

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