Drug Information| Drug ID: | NPD8846 |
| Drug Name: | Pyroglutamate |
| Molecular Formula: | C5H7NO3 |
| Canonical SMILES: | OC(=O)C1CCC(=N1)O |
| Standard InCHI: | "InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)" |
| Standard InCHIKey: | ODHCTXKNWHHXJC-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | DrugBank |
Structural Similarity Between NPASS Natural Products and NPD8846Similarity 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 | NPC19576 |
| High Similarity | 1.0 | NPC29950 |
| High Similarity | 1.0 | NPC79291 |
| Remote Similarity | 0.625 | NPC173721 |
| Remote Similarity | 0.6 | NPC219251 |
| Remote Similarity | 0.5882 | NPC157538 |
| Remote Similarity | 0.56 | NPC69250 |
| Remote Similarity | 0.5588 | NPC132762 |
| Remote Similarity | 0.5588 | NPC303433 |
| Remote Similarity | 0.5556 | NPC127739 |
| Remote Similarity | 0.5484 | NPC9289 |
| Remote Similarity | 0.5429 | NPC65815 |
| Remote Similarity | 0.5429 | NPC21078 |
| Remote Similarity | 0.5417 | NPC157866 |
| Remote Similarity | 0.5357 | NPC322946 |
| Remote Similarity | 0.5312 | NPC308901 |
| Remote Similarity | 0.5185 | NPC589841 |
| Remote Similarity | 0.5152 | NPC66332 |
| Remote Similarity | 0.5152 | NPC23569 |
| Remote Similarity | 0.5143 | NPC301349 |
| Remote Similarity | 0.5135 | NPC245419 |
| Remote Similarity | 0.5135 | NPC470110 |
| Remote Similarity | 0.5135 | NPC85644 |
| Remote Similarity | 0.5135 | NPC576887 |