Drug Information| Drug ID: | NPD1201 |
| Drug Name: | Anthralin |
| Molecular Formula: | C14H10O3 |
| Canonical SMILES: | Oc1cccc2c1C(=O)c1c(C2)cccc1O |
| Standard InCHI: | "InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2" |
| Standard InCHIKey: | NUZWLKWWNNJHPT-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 4 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD1201Similarity 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 |
|---|---|---|
| Intermediate Similarity | 0.7429 | NPC173978 |
| Intermediate Similarity | 0.7027 | NPC491994 |
| Intermediate Similarity | 0.7027 | NPC607932 |
| Remote Similarity | 0.6129 | NPC103540 |
| Remote Similarity | 0.6129 | NPC611962 |
| Remote Similarity | 0.5806 | NPC375356 |
| Remote Similarity | 0.5806 | NPC600539 |
| Remote Similarity | 0.5758 | NPC554562 |
| Remote Similarity | 0.5758 | NPC608834 |
| Remote Similarity | 0.5294 | NPC300274 |
| Remote Similarity | 0.5135 | NPC577329 |
| Remote Similarity | 0.5135 | NPC604340 |