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Reactions Similar in Bond Changes to M0171

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 M0171 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
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 M0171

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

Reactions similar to M0171

There are 31 similar (Tanimoto Score ≥ 0.75) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0017
2.4.2.1
0.710.16660.2250.2359Compare
M0091
2.4.2.2
0.710.18180.180.2345Compare
M0076
2.4.2.30
0.710.60.31260.5395Compare
M0039
3.2.2.1
0.830.68420.02460.5342Compare
M0071
3.2.2.3
0.830.500.4083Compare
M0313
3.2.2.21
0.830.222200.2277Compare
M0167
3.4.11.10
0.830.6250.46520.6058Compare
M0168
3.4.13.19
0.880.6250.02620.5016Compare
M0169
3.4.14.5
0.830.27770.01470.2675Compare
M0170
3.4.15.1
0.880.88880.12830.6986Compare
M0005
3.4.16.6
0.830.277700.2638Compare
M0172
3.4.19.-
0.830.700.5383Compare
M0173
3.4.21.4
0.830.400.3433Compare
M0238
3.4.21.97
0.830.40.14990.3808Compare
M0174
3.4.22.2
0.830.36360.02180.3251Compare
M0175
3.4.23.16
0.830.9090.02040.6792Compare
M0176
3.4.24.27
0.880.41660.180.4046Compare
M0177
3.4.25.1
0.830.40.07730.3626Compare
M0240
3.5.1.-
0.710.56750.10250.4659Compare
M0301
3.5.1.2
0.830.500.4083Compare
M0241
3.5.1.11
0.830.25710.19360.2988Compare
M0266
3.5.1.26
0.830.40.11250.3714Compare
M0029
3.5.1.38
0.830.40590.11880.3768Compare
M0098
3.5.1.88
0.830.55550.18940.4917Compare
M0288
3.5.1.93
0.830.42850.14990.3993Compare
M0002
3.5.2.6
0.830.61290.11250.5098Compare
M0210
3.5.2.6
0.830.6500.5058Compare
M0016
3.5.2.6
0.830.888800.6610Compare
M0258
3.5.2.6
0.830.33330.01080.3026Compare
M0257
3.5.2.6
0.830.77770.08180.6092Compare
M0015
3.5.2.6
0.830.333300.2999Compare

OVERVIEW OF ALL RESULTS

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