Drug Information| Drug ID: | NPD9440 |
| Drug Name: | tridolgosir |
| Molecular Formula: | C8H15NO3 |
| Canonical SMILES: | O[C@@H]1CN2[C@@H]([C@@H]1O)[C@H](O)CCC2 |
| Standard InCHI: | "InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1" |
| Standard InCHIKey: | FXUAIOOAOAVCGD-WCTZXXKLSA-N |
| Max Developmental Stage: | Pre-clinical |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9440Similarity 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 | NPC233034 |
| High Similarity | 1.0 | NPC267912 |
| High Similarity | 1.0 | NPC481828 |
| High Similarity | 1.0 | NPC514443 |
| High Similarity | 1.0 | NPC608205 |
| Remote Similarity | 0.5294 | NPC126664 |
| Remote Similarity | 0.5294 | NPC34291 |
| Remote Similarity | 0.5294 | NPC95509 |
| Remote Similarity | 0.5294 | NPC604626 |
| Remote Similarity | 0.5294 | NPC562597 |
| Remote Similarity | 0.5294 | NPC607937 |
| Remote Similarity | 0.5152 | NPC534952 |
| Remote Similarity | 0.5152 | NPC591685 |