⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7473806 | 0.74 | GAA (0.39) | — | |
| SCHEMBL1823573 | 0.70 | — | — | |
| SCHEMBL15823371 | 0.70 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL5259182 | 0.67 | — | — | |
| SCHEMBL5258503 | 0.67 | — | — | |
| SCHEMBL3371595 | 0.67 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL25396462 | 0.64 | L3MBTL1 (0.53) | — | |
| SCHEMBL9051706 | 0.64 | CA2 (0.38) | — | |
| SCHEMBL1828781 | 0.63 | — | — | |
| SCHEMBL1414519 | 0.62 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105916499-A | 12-epi-pleuromutilins | 纳布里瓦治疗股份公司 | 2016-08-31 | — | — | CN | claimed |
| CN-105916499-A | 12-epi-pleuromutilins | 纳布里瓦治疗股份公司 | 2016-08-31 | — | — | CN | disclosed |