Drug Information| Drug ID: | NPD9130 |
| Drug Name: | ferric citrate |
| Molecular Formula: | C6H8O7 |
| Canonical SMILES: | [O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O |
| Standard InCHI: | "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3" |
| Standard InCHIKey: | KRKNYBCHXYNGOX-UHFFFAOYSA-K |
| Max Developmental Stage: | Phase 3 |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9130Similarity 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 | NPC328069 |
| Remote Similarity | 0.6842 | NPC322109 |
| Remote Similarity | 0.6522 | NPC313599 |
| Remote Similarity | 0.619 | NPC323591 |
| Remote Similarity | 0.5652 | NPC318989 |
| Remote Similarity | 0.5455 | NPC298999 |
| Remote Similarity | 0.5417 | NPC321847 |
| Remote Similarity | 0.5263 | NPC325257 |
| Remote Similarity | 0.5263 | NPC320703 |