Drug Information| Drug ID: | NPD9258 |
| Drug Name: | Benzoic Acid |
| Molecular Formula: | C7H6O2 |
| Canonical SMILES: | OC(=O)c1ccccc1 |
| Standard InCHI: | "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" |
| Standard InCHIKey: | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 4 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9258Similarity 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 | NPC62765 |
| High Similarity | 1.0 | NPC612024 |
| Intermediate Similarity | 0.7647 | NPC61944 |
| Remote Similarity | 0.6842 | NPC215964 |
| Remote Similarity | 0.619 | NPC228435 |
| Remote Similarity | 0.5652 | NPC29884 |
| Remote Similarity | 0.5652 | NPC150323 |
| Remote Similarity | 0.5652 | NPC608486 |
| Remote Similarity | 0.56 | NPC304873 |
| Remote Similarity | 0.5417 | NPC184658 |
| Remote Similarity | 0.5417 | NPC29883 |
| Remote Similarity | 0.5417 | NPC20045 |
| Remote Similarity | 0.5417 | NPC253423 |
| Remote Similarity | 0.5417 | NPC605934 |
| Remote Similarity | 0.5357 | NPC576785 |
| Remote Similarity | 0.52 | NPC229242 |
| Remote Similarity | 0.52 | NPC162970 |
| Remote Similarity | 0.52 | NPC100551 |
| Remote Similarity | 0.52 | NPC324786 |
| Remote Similarity | 0.52 | NPC130931 |
| Remote Similarity | 0.52 | NPC187911 |
| Remote Similarity | 0.52 | NPC517057 |
| Remote Similarity | 0.52 | NPC603861 |
| Remote Similarity | 0.52 | NPC611843 |