Drug Information| Drug ID: | NPD8595 |
| Drug Name: | Sodium aurothiomalate |
| Molecular Formula: | C4H6O4S.Au.Na |
| Canonical SMILES: | [O-]C(=O)CC(C(=O)[O-])S.[Na+].[Au+] |
| Standard InCHI: | "InChI=1S/C4H6O4S.Au.Na/c5-3(6)1-2(9)4(7)8;;/h2,9H,1H2,(H,5,6)(H,7,8);;/q;2*+1/p-2" |
| Standard InCHIKey: | LTEMOXGFFHXNNS-UHFFFAOYSA-L |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | DrugBank |
Structural Similarity Between NPASS Natural Products and NPD8595Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| High Similarity | 1.0 | NPC192400 |
| High Similarity | 1.0 | NPC20286 |
| High Similarity | 1.0 | NPC19045 |
| Remote Similarity | 0.6316 | NPC318721 |
| Remote Similarity | 0.5882 | NPC100749 |
| Remote Similarity | 0.5714 | NPC69289 |
| Remote Similarity | 0.5556 | NPC325257 |
| Remote Similarity | 0.5556 | NPC320703 |
| Remote Similarity | 0.5556 | NPC326760 |
| Remote Similarity | 0.5294 | NPC320218 |
| Remote Similarity | 0.5294 | NPC317121 |
| Remote Similarity | 0.5294 | NPC152099 |
| Remote Similarity | 0.5263 | NPC329534 |
| Remote Similarity | 0.5263 | NPC319195 |
| Remote Similarity | 0.5263 | NPC318915 |
| Remote Similarity | 0.5263 | NPC316493 |
| Remote Similarity | 0.5263 | NPC317436 |
| Remote Similarity | 0.5217 | NPC323402 |