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Reactions Similar in Bond Changes to M0049

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 M0049 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-H
C-N
C-O
N-H
N-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
C-C
C-N
C-O
N-H
N-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
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-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 single to double 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-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 M0049

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

Reactions similar to M0049

There are 35 similar (Tanimoto Score ≥ 0.65) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0092
1.1.1.22
0.100.58510.17890.4357Compare
M0227
1.1.1.271
0.20.72120.24310.5495Compare
M0103
1.1.3.38
00.63310.15830.4510Compare
M0274
1.2.3.3
0.160.67970.34350.5443Compare
M0306
1.3.7.6
0.160.74870.01880.5080Compare
M0304
1.4.1.13
0.10.59820.01290.4020Compare
M0111
1.4.7.1
0.10.75130.18780.5452Compare
M0013
1.4.99.3
00.86010.0250.5653Compare
M0120
1.5.1.20
0.160.57960.33750.4777Compare
M0237
1.5.1.33
0.060.6090.09990.4272Compare
M0113
1.5.3.1
00.60750.01490.3986Compare
M0003
1.6.5.2
00.56410.09990.3916Compare
M0208
1.10.2.2
0.040.64490.2250.4803Compare
M0239
1.11.1.7
00.607300.3947Compare
M0133
1.14.15.1
00.692700.4502Compare
M0268
2.1.1.13
00.53280.09990.3712Compare
M0031
2.1.1.45
0.050.70170.28160.5323Compare
M0148
2.2.1.2
0.220.80.19990.5921Compare
M0214
2.4.2.14
00.59440.07800.4058Compare
M0243
2.6.99.2
00.6740.17350.4814Compare
M0159
3.1.8.1
00.74430.01090.4865Compare
M0162
3.1.25.1
00.80590.18110.5691Compare
M0019
3.2.1.113
00.64960.2250.4784Compare
M0301
3.5.1.2
00.57250.25530.4359Compare
M0029
3.5.1.38
00.79220.23780.5743Compare
M0210
3.5.2.6
00.6260.1960.4559Compare
M0060
3.5.99.6
0.040.6060.16360.4391Compare
M0181
3.11.1.1
0.120.73430.00690.4915Compare
M0225
4.1.1.50
0.830.68140.34860.6133Compare
M0222
4.1.2.13
00.66060.46550.5457Compare
M0055
4.2.1.10
00.88880.17050.6203Compare
M0230
4.2.1.24
00.641200.4167Compare
M0059
4.2.3.4
0.080.76660.14990.5440Compare
M0095
5.3.1.3
0.120.64960.25710.4990Compare
M0308
5.3.1.5
00.73750.01440.4829Compare

OVERVIEW OF ALL RESULTS

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