⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL703628 | 0.76 | — | — | |
| SCHEMBL5831589 | 0.76 | — | — | |
| SCHEMBL2528310 | 0.74 | — | — | |
| SCHEMBL18974024 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL18974031 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL11821267 | 0.71 | — | — | |
| SCHEMBL13491584 | 0.71 | — | — | |
| SCHEMBL12869031 | 0.71 | — | — | |
| SCHEMBL18974789 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL18974118 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1954701-B1 | PROCESS FOR PREPARING UNSATURATED ORGANOSILICON COMPOUNDS | WACKER CHEMIE AG (DE) | 2009-03-18 | — | — | EP | disclosed |