Drug Information| Drug ID: | NPD1799 |
| Drug Name: | |
| Molecular Formula: | C15H24 |
| Canonical SMILES: | C=CC1(C)CCC(CC1C(=C)C)C(=C)C |
| Standard InCHI: | "InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3" |
| Standard InCHIKey: | OPFTUNCRGUEPRZ-UHFFFAOYSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD1799Similarity 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 | NPC190232 |
| High Similarity | 1.0 | NPC17908 |
| High Similarity | 1.0 | NPC36408 |
| High Similarity | 1.0 | NPC105246 |
| High Similarity | 1.0 | NPC246125 |
| High Similarity | 1.0 | NPC288922 |
| High Similarity | 1.0 | NPC601930 |
| Intermediate Similarity | 0.7143 | NPC489995 |
| Intermediate Similarity | 0.7143 | NPC492666 |
| Remote Similarity | 0.6923 | NPC70702 |
| Remote Similarity | 0.6667 | NPC516306 |
| Remote Similarity | 0.6452 | NPC124851 |
| Remote Similarity | 0.6452 | NPC521148 |
| Remote Similarity | 0.6452 | NPC545446 |
| Remote Similarity | 0.6452 | NPC551275 |
| Remote Similarity | 0.6207 | NPC141513 |
| Remote Similarity | 0.6207 | NPC42330 |
| Remote Similarity | 0.6207 | NPC44846 |
| Remote Similarity | 0.6207 | NPC135836 |
| Remote Similarity | 0.6207 | NPC49026 |
| Remote Similarity | 0.6207 | NPC39068 |
| Remote Similarity | 0.6207 | NPC168323 |
| Remote Similarity | 0.6207 | NPC553347 |
| Remote Similarity | 0.5882 | NPC283247 |
| Remote Similarity | 0.5882 | NPC176621 |
| Remote Similarity | 0.5882 | NPC536301 |
| Remote Similarity | 0.5882 | NPC539873 |
| Remote Similarity | 0.5882 | NPC573255 |
| Remote Similarity | 0.5882 | NPC576734 |
| Remote Similarity | 0.5882 | NPC581566 |
| Remote Similarity | 0.5806 | NPC555319 |
| Remote Similarity | 0.5806 | NPC559540 |
| Remote Similarity | 0.5714 | NPC250977 |
| Remote Similarity | 0.5714 | NPC561422 |
| Remote Similarity | 0.5405 | NPC517844 |
| Remote Similarity | 0.5405 | NPC523245 |
| Remote Similarity | 0.5263 | NPC522071 |
| Remote Similarity | 0.5263 | NPC585649 |
| Remote Similarity | 0.5185 | NPC317171 |
| Remote Similarity | 0.5143 | NPC303109 |