Drug Information| Drug ID: | NPD1809 |
| Drug Name: | Butylated Hydroxytoluene |
| Molecular Formula: | C15H24O |
| Canonical SMILES: | Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C |
| Standard InCHI: | "InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3" |
| Standard InCHIKey: | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 2 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD1809Similarity 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 | NPC144682 |
| High Similarity | 1.0 | NPC611801 |
| Remote Similarity | 0.6923 | NPC99557 |
| Remote Similarity | 0.6818 | NPC556379 |
| Remote Similarity | 0.6818 | NPC603432 |
| Remote Similarity | 0.625 | NPC563639 |
| Remote Similarity | 0.5769 | NPC331620 |
| Remote Similarity | 0.5769 | NPC497316 |
| Remote Similarity | 0.5769 | NPC606943 |
| Remote Similarity | 0.5417 | NPC269212 |
| Remote Similarity | 0.5417 | NPC289769 |
| Remote Similarity | 0.5217 | NPC70436 |