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Reactions Similar in Bond Changes to M0234

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 M0234 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
C-O
C-S
N-H
N-H
N-H
O-H
O-H
P-O
S-H
C-N
C-O
C-S
N-H
N-H
N-H
O-H
O-H
P-O
S-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
P
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 M0234

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

Reactions similar to M0234

There are 16 similar (Tanimoto Score ≥ 0.65) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0248
1.11.1.10
0.230.51850.20190.4110Compare
M0291
2.3.1.39
00.60970.07570.4152Compare
M0214
2.4.2.14
0.660.62160.37880.5654Compare
M0218
3.1.1.3
0.50.59090.180.4790Compare
M0094
3.1.1.47
0.50.64440.32200.5493Compare
M0169
3.4.14.5
0.280.7560.360.6099Compare
M0005
3.4.16.6
0.280.7560.450.6324Compare
M0173
3.4.21.4
0.280.70.34960.5709Compare
M0238
3.4.21.97
0.280.70.10580.5100Compare
M0177
3.4.25.1
0.280.70.25470.5472Compare
M0301
3.5.1.2
0.280.60650.26480.4889Compare
M0241
3.5.1.11
0.280.66660.21360.5152Compare
M0266
3.5.1.26
0.280.70.08330.5043Compare
M0288
3.5.1.93
0.280.65380.180.4985Compare
M0002
3.5.2.6
0.280.58330.16750.4495Compare
M0302
6.3.5.4
0.830.73130.17230.6017Compare

OVERVIEW OF ALL RESULTS

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