Drug Information| Drug ID: | NPD9265 |
| Drug Name: | |
| Molecular Formula: | C7H6O3 |
| Canonical SMILES: | Oc1ccc(cc1)C(=O)O |
| Standard InCHI: | "InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)" |
| Standard InCHIKey: | FJKROLUGYXJWQN-UHFFFAOYSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9265Similarity 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 | NPC29883 |
| High Similarity | 1.0 | NPC605934 |
| Remote Similarity | 0.6296 | NPC156654 |
| Remote Similarity | 0.6296 | NPC187913 |
| Remote Similarity | 0.6296 | NPC608564 |
| Remote Similarity | 0.6154 | NPC277758 |
| Remote Similarity | 0.6154 | NPC98543 |
| Remote Similarity | 0.6154 | NPC610515 |
| Remote Similarity | 0.6071 | NPC241089 |
| Remote Similarity | 0.6071 | NPC572902 |
| Remote Similarity | 0.5909 | NPC61944 |
| Remote Similarity | 0.5667 | NPC133298 |
| Remote Similarity | 0.5667 | NPC22557 |
| Remote Similarity | 0.5667 | NPC520609 |
| Remote Similarity | 0.5667 | NPC607402 |
| Remote Similarity | 0.5484 | NPC314252 |
| Remote Similarity | 0.5484 | NPC521101 |
| Remote Similarity | 0.5484 | NPC548598 |
| Remote Similarity | 0.5417 | NPC62765 |
| Remote Similarity | 0.5417 | NPC612024 |
| Remote Similarity | 0.5357 | NPC100551 |
| Remote Similarity | 0.5357 | NPC611843 |
| Remote Similarity | 0.5185 | NPC223004 |
| Remote Similarity | 0.5172 | NPC312800 |
| Remote Similarity | 0.5172 | NPC607997 |