⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10797537 | 0.80 | — | — | |
| SCHEMBL18574652 | 0.80 | — | — | |
| SCHEMBL2012222 | 0.77 | — | — | |
| SCHEMBL22947398 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL10837392 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL10837394 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL10837387 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL11089400 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL11089401 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL1785951 | 0.69 | BTN3A1 (0.34) | — |
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-2872522-A1 | OXASILACYCLENES AND METHOD FOR THE PRODUCTION THEREOF | Wacker Chemie AG (DE) | 2015-05-20 | — | — | EP | disclosed |
| WO-2014009204-A1 | OXASILACYCLENES AND METHOD FOR THE PRODUCTION THEREOF | WACKER CHEMIE AG (DE) | 2014-01-16 | — | — | WO | disclosed |