⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL505180 | 0.78 | — | — | |
| SCHEMBL21195851 | 0.78 | — | — | |
| SCHEMBL3205333 | 0.66 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL2692522 | 0.65 | TFPI2 (0.39) | — | |
| SCHEMBL23244828 | 0.64 | TFPI2 (0.37) | — | |
| SCHEMBL15769315 | 0.62 | TFPI2 (0.44) | — | |
| SCHEMBL14964689 | 0.61 | PDK1 (0.32) | — | |
| SCHEMBL19408737 | 0.61 | PDK1 (0.32) | — | |
| SCHEMBL666529 | 0.61 | CHRNB2 (0.30) | — | |
| SCHEMBL25311350 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1351959-A1 | NOVEL PLEUROMUTILIN DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2003-10-15 | — | — | EP | disclosed |
| WO-2002030929-A1 | NOVEL PLEUROMUTILIN DERIVATIVES | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-04-18 | — | — | WO | disclosed |