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Reactions Similar in Bond Changes to M0065

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 M0065 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-N
N-H
O-H
O-H
O-H
O-H
P-O
C-O
N-H
N-H
N-H
O-H
O-H
P-O
The C-N bond changes from a single to double bond
The C-O bond changes from a double to single bond
C
H
N
O
P

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 M0065

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

Reactions similar to M0065

There are 20 similar (Tanimoto Score ≥ 0.65) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0354
00Compare
M0351
00Compare
M0360
00Compare
M0028
3.1.4.11
0.260.55550.2250.4439Compare
M0300
3.1.4.46
0.260.60.52890.5488Compare
M0158
3.1.6.8
0.110.60.450.5142Compare
M0041
3.1.21.1
0.260.57140.33750.4824Compare
M0164
3.1.27.5
0.260.60.52870.5488Compare
M0165
3.1.31.1
0.260.529400.3707Compare
M0252
4.1.1.48
0.250.64440.16120.4841Compare
M0267
4.2.1.52
00.44610.17150.3328Compare
M0026
4.6.1.13
0.260.57140.39990.4980Compare
M0325
5.4.4.2
00.52630.11990.3720Compare
M0232
5.99.1.2
00.62960.22060.4643Compare
M0200
6.3.1.5
0.430.61290.01730.4464Compare
M0229
6.3.2.1
0.680.53330.18300.4611Compare
M0317
6.3.2.9
0.630.47050.37770.4634Compare
M0074
6.3.3.3
0.750.65510.25710.5650Compare
M0303
6.3.3.4
0.60.65510.16480.5270Compare
M0316
6.3.4.5
0.530.629600.4630Compare

OVERVIEW OF ALL RESULTS

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