Drug Information| Drug ID: | NPD405 |
| Drug Name: | |
| Molecular Formula: | C10H6O3 |
| Canonical SMILES: | O=C1C=CC(=O)c2c1c(O)ccc2 |
| Standard InCHI: | "InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H" |
| Standard InCHIKey: | KQPYUDDGWXQXHS-UHFFFAOYSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD405Similarity 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 | NPC108288 |
| High Similarity | 1.0 | NPC603574 |
| Remote Similarity | 0.6552 | NPC232178 |
| Remote Similarity | 0.6552 | NPC605227 |
| Remote Similarity | 0.6216 | NPC206778 |
| Remote Similarity | 0.6216 | NPC517649 |
| Remote Similarity | 0.6216 | NPC602595 |
| Remote Similarity | 0.6216 | NPC604269 |
| Remote Similarity | 0.5946 | NPC285829 |
| Remote Similarity | 0.5946 | NPC611986 |
| Remote Similarity | 0.5897 | NPC51037 |
| Remote Similarity | 0.5882 | NPC500036 |
| Remote Similarity | 0.5789 | NPC504635 |
| Remote Similarity | 0.5789 | NPC600470 |
| Remote Similarity | 0.5556 | NPC495638 |
| Remote Similarity | 0.5517 | NPC215008 |
| Remote Similarity | 0.5517 | NPC600327 |
| Remote Similarity | 0.55 | NPC165257 |
| Remote Similarity | 0.55 | NPC493034 |
| Remote Similarity | 0.5278 | NPC307174 |
| Remote Similarity | 0.5263 | NPC131406 |
| Remote Similarity | 0.5122 | NPC188235 |
| Remote Similarity | 0.5122 | NPC114620 |
| Remote Similarity | 0.5122 | NPC595526 |