Drug Information| Drug ID: | NPD8573 |
| Drug Name: | Fumaric Acid |
| Molecular Formula: | C4H4O4 |
| Canonical SMILES: | OC(=O)/C=C/C(=O)O |
| Standard InCHI: | "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+" |
| Standard InCHIKey: | VZCYOOQTPOCHFL-OWOJBTEDSA-N |
| Max Developmental Stage: | Phase 4 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD8573Similarity 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 | NPC98098 |
| High Similarity | 1.0 | NPC224651 |
| High Similarity | 1.0 | NPC549384 |
| High Similarity | 1.0 | NPC611718 |
| Remote Similarity | 0.6154 | NPC604138 |
| Remote Similarity | 0.6 | NPC308418 |
| Remote Similarity | 0.6 | NPC60675 |
| Remote Similarity | 0.6 | NPC297363 |
| Remote Similarity | 0.6 | NPC217809 |
| Remote Similarity | 0.5833 | NPC68873 |
| Remote Similarity | 0.5625 | NPC185630 |
| Remote Similarity | 0.5625 | NPC280312 |
| Remote Similarity | 0.5625 | NPC265594 |
| Remote Similarity | 0.5625 | NPC107877 |
| Remote Similarity | 0.5625 | NPC11185 |
| Remote Similarity | 0.5625 | NPC249597 |
| Remote Similarity | 0.5625 | NPC219996 |
| Remote Similarity | 0.5625 | NPC511529 |
| Remote Similarity | 0.5625 | NPC512150 |
| Remote Similarity | 0.5625 | NPC523370 |
| Remote Similarity | 0.5294 | NPC303133 |
| Remote Similarity | 0.5294 | NPC97348 |
| Remote Similarity | 0.5294 | NPC179544 |
| Remote Similarity | 0.5294 | NPC496847 |
| Remote Similarity | 0.5294 | NPC597823 |