Drug Information| Drug ID: | NPD9749 |
| Drug Name: | |
| Molecular Formula: | CH2O3 |
| Canonical SMILES: | [O-]C(=O)O |
| Standard InCHI: | "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1" |
| Standard InCHIKey: | BVKZGUZCCUSVTD-UHFFFAOYSA-M |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9749Similarity 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 | NPC327796 |
| Remote Similarity | 0.625 | NPC300325 |
| Remote Similarity | 0.625 | NPC159900 |
| Remote Similarity | 0.625 | NPC8159 |
| Remote Similarity | 0.625 | NPC606409 |
| Remote Similarity | 0.5556 | NPC301950 |
| Remote Similarity | 0.5455 | NPC184782 |
| Remote Similarity | 0.5455 | NPC214472 |