Drug Information| Drug ID: | NPD9092 |
| Drug Name: | "5-hydroxymethyl-2-furfural (sickle cell disease), AesRx LLC" |
| Molecular Formula: | C6H6O3 |
| Canonical SMILES: | OCc1ccc(o1)C=O |
| Standard InCHI: | "InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2" |
| Standard InCHIKey: | NOEGNKMFWQHSLB-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 2 |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9092Similarity 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 | NPC107482 |
| High Similarity | 1.0 | NPC611910 |
| Remote Similarity | 0.6538 | NPC267074 |
| Remote Similarity | 0.6364 | NPC470794 |
| Remote Similarity | 0.6364 | NPC543108 |
| Remote Similarity | 0.6364 | NPC610720 |
| Remote Similarity | 0.5833 | NPC283148 |
| Remote Similarity | 0.5833 | NPC219969 |
| Remote Similarity | 0.5667 | NPC587021 |
| Remote Similarity | 0.5294 | NPC596930 |
| Remote Similarity | 0.5185 | NPC470797 |
| Remote Similarity | 0.5161 | NPC496977 |
| Remote Similarity | 0.5152 | NPC20840 |
| Remote Similarity | 0.5152 | NPC308836 |
| Remote Similarity | 0.5152 | NPC526619 |
| Remote Similarity | 0.5152 | NPC546841 |
| Remote Similarity | 0.5128 | NPC475146 |