⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL855769 | 0.86 | — | — | |
| SCHEMBL178553 | 0.65 | — | — | |
| SCHEMBL30883078 | 0.65 | — | — | |
| SCHEMBL12153449 | 0.65 | — | — | |
| SCHEMBL13332625 | 0.65 | — | — | |
| SCHEMBL18294331 | 0.65 | — | — | |
| SCHEMBL15484285 | 0.63 | TSHR (0.50) | — | |
| SCHEMBL5907072 | 0.63 | CA1 (0.43) | — | |
| SCHEMBL13440234 | 0.62 | — | — | |
| SCHEMBL13772786 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105985390-B | A kind of salsola-like inula flower and herb Plays extract and its analysis method and application | 西北大学 | 2019-05-21 | — | — | CN | claimed |
| CN-105985390-B | A kind of salsola-like inula flower and herb Plays extract and its analysis method and application | 西北大学 | 2019-05-21 | — | — | CN | disclosed |
| CN-105985390-A | Standard extract in Inula salsoloides and analytical method and application thereof | 西北大学 | 2016-10-05 | — | — | CN | disclosed |