⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8927854 | 0.93 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL6434390 | 0.84 | — | — | |
| SCHEMBL3846687 | 0.82 | — | — | |
| SCHEMBL27763848 | 0.78 | — | — | |
| SCHEMBL27857211 | 0.78 | — | — | |
| SCHEMBL7765567 | 0.78 | TSHR (0.48) | — | |
| SCHEMBL3104189 | 0.78 | — | — | |
| SCHEMBL1274712 | 0.78 | — | — | |
| SCHEMBL8564419 | 0.76 | — | — | |
| SCHEMBL5157505 | 0.74 | — | — |
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-2649110-A1 | SILICONE-CONTAINING POLYURETHANE FOAM | Wacker Chemie AG (DE) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012076439-A1 | SILICON-CONTAINING POLYURETHANE FOAM | WACKER CHEMIE AG (DE) | 2012-06-14 | — | — | WO | disclosed |