Drug Information| Drug ID: | NPD9752 |
| Drug Name: | |
| Molecular Formula: | CH3O4PS |
| Canonical SMILES: | OC(=O)P(=S)(O)O |
| Standard InCHI: | "InChI=1S/CH3O4PS/c2-1(3)6(4,5)7/h(H,2,3)(H2,4,5,7)" |
| Standard InCHIKey: | OSIAURSWRZARKZ-UHFFFAOYSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9752Similarity 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 | NPC611580 |
| Remote Similarity | 0.6923 | NPC230597 |
| Remote Similarity | 0.6923 | NPC601958 |
| Remote Similarity | 0.6154 | NPC307812 |
| Remote Similarity | 0.6154 | NPC607329 |
| Remote Similarity | 0.5833 | NPC68873 |
| Remote Similarity | 0.5714 | NPC611729 |
| Remote Similarity | 0.5625 | NPC611670 |
| Remote Similarity | 0.5294 | NPC607828 |