⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8523734 | 0.85 | ADH1C (0.39) | — | |
| SCHEMBL5237214 | 0.73 | — | — | |
| SCHEMBL602411 | 0.70 | ADH1A (0.38) | — | |
| SCHEMBL8982476 | 0.70 | ADH1A (0.38) | — | |
| SCHEMBL24795424 | 0.67 | — | — | |
| SCHEMBL28357207 | 0.67 | CA12 (0.32) | — | |
| SCHEMBL2915 | 0.66 | — | — | |
| SCHEMBL6005054 | 0.64 | EPHX1 (0.34) | — | |
| SCHEMBL11397519 | 0.64 | ADH1A (0.43) | — | |
| SCHEMBL7192785 | 0.64 | — | — |
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 1 patent. 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 | disclosed |