⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6129175 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL6175842 | 0.74 | — | — | |
| SCHEMBL16448486 | 0.74 | — | — | |
| SCHEMBL25683923 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL13077381 | 0.73 | — | — | |
| SCHEMBL8259640 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL12336923 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL8010551 | 0.72 | — | — | |
| SCHEMBL13310144 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL4550800 | 0.72 | ALDH1A1 (0.39) | — |
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-105125599-B | A kind of preparation method of the tribulus terrestris extraction containing total saponins of tribulus | 内蒙古昶辉生物科技股份有限公司 | 2018-07-13 | — | — | CN | claimed |
| CN-105125599-B | A kind of preparation method of the tribulus terrestris extraction containing total saponins of tribulus | 内蒙古昶辉生物科技股份有限公司 | 2018-07-13 | — | — | CN | disclosed |
| WO-2012129128-A1 | FLUORESCENT DYES, FLUORESCENT DYE KITS, AND METHODS OF PREPARING LABELED MOLECULES | BIOTIUM, INC. (US) | 2012-09-27 | — | — | WO | disclosed |