Drug Information| Drug ID: | NPD807 |
| Drug Name: | Thiamine Hydrochloride |
| Molecular Formula: | C12H17N4OS.2ClH |
| Canonical SMILES: | OCCc1sc[n+](c1C)Cc1cnc([nH]c1=N)C.Cl.[Cl-] |
| Standard InCHI: | InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1 |
| Standard InCHIKey: | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD807Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient 
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| High Similarity | 1.0 | NPC125076 |
| High Similarity | 1.0 | NPC150950 |
| High Similarity | 1.0 | NPC189436 |
| High Similarity | 0.9167 | NPC329165 |
| High Similarity | 0.9098 | NPC320833 |
| High Similarity | 0.9098 | NPC317197 |
| Intermediate Similarity | 0.7581 | NPC162460 |