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Reactions Similar in Bond Changes to M0117

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 M0117 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
S-H
C-H
N-H
N-H
N-H
O-H
O-H
O-H
S-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-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-N bond changes from a single to double bond
The C-N 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-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-N bond changes from a double to single bond
C
H
N
O
S

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 M0117

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

Reactions similar to M0117

There are 31 similar (Tanimoto Score ≥ 0.65) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0367
00Compare
M0353
00Compare
M0275
1.2.2.2
0.160.48630.01960.3376Compare
M0274
1.2.3.3
00.549600.3572Compare
M0106
1.2.4.1
00.525200.3413Compare
M0280
1.2.4.4
00.52520.26670.4080Compare
M0119
1.2.7.1
00.571400.3714Compare
M0108
1.3.1.34
0.50.64160.01250.4701Compare
M0020
1.3.99.1
0.120.640.0060.43Compare
M0067
1.4.1.1
0.180.489100.3366Compare
M0304
1.4.1.13
0.110.65240.180.4801Compare
M0110
1.4.3.3
0.060.53760.180.4006Compare
M0120
1.5.1.20
0.440.86730.360.6981Compare
M0237
1.5.1.33
0.330.490.180.3968Compare
M0113
1.5.3.1
0.060.50.09990.3562Compare
M0115
1.5.99.12
0.190.61360.21230.4709Compare
M0003
1.6.5.2
0.350.77220.02420.5429Compare
M0211
1.7.1.-
0.330.73380.03480.519Compare
M0118
1.7.3.3
0.170.531200.3629Compare
M0139
1.17.1.4
0.20.43560.01230.3062Compare
M0147
2.1.2.1
00.66400.4316Compare
M0219
2.2.1.1
00.584700.3800Compare
M0162
3.1.25.1
0.100.51280.02060.3489Compare
M0215
4.1.1.1
00.57480.08670.3952Compare
M0220
4.1.1.7
00.58250.07490.3973Compare
M0221
4.1.2.38
00.605500.3935Compare
M0305
4.1.3.38
0.440.554600.4049Compare
M0055
4.2.1.10
0.280.478500.3395Compare
M0230
4.2.1.24
0.140.52020.0220.3579Compare
M0185
4.2.99.18
0.20.54830.25420.4399Compare
M0186
4.3.1.17
0.10.52330.20220.4006Compare

OVERVIEW OF ALL RESULTS

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