⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Propanol SCHEMBL28997414 | 0.95 | — | — | |
| Propanol SCHEMBL8345328 | 0.95 | — | — | |
| Propanol SCHEMBL20546885 | 0.95 | — | — | |
| Propanol SCHEMBL10861530 | 0.95 | — | — | |
| Propanol SCHEMBL28120229 | 0.90 | — | — | |
| Propanol SCHEMBL28079488 | 0.90 | — | — | |
| Propanol SCHEMBL1478 | 0.89 | — | — | |
| Propanol SCHEMBL1133211 | 0.89 | — | — | |
| Propanol SCHEMBL29500439 | 0.89 | — | — | |
| Propanol SCHEMBL8328980 | 0.89 | ALDH1A1 (0.58) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107715055-B | Preparation method and application of traditional Chinese medicine composition extract with anti-inflammatory and analgesic effects | 青岛大学 | 2020-09-01 | — | — | CN | disclosed |
| CN-107722078-B | Method for extracting, separating and purifying phlorizin by n-propanol-potassium sodium tartrate aqueous two-phase system | 青岛大学 | 2020-07-10 | — | — | CN | disclosed |