⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL935472 | 0.78 | KIF11 (0.32) | — | |
| SCHEMBL1440096 | 0.75 | — | — | |
| SCHEMBL12306076 | 0.74 | TSHR (0.48) | — | |
| SCHEMBL1246676 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL14876676 | 0.73 | — | — | |
| SCHEMBL935040 | 0.72 | — | — | |
| SCHEMBL28280747 | 0.69 | — | — | |
| SCHEMBL4974374 | 0.67 | — | — | |
| SCHEMBL21309259 | 0.67 | — | — | |
| SCHEMBL13703646 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011006808-A1 | CROSS-LINKABLE ORGANOSILICON-BASED COMPOSITIONS | WACKER CHEMIE AG (DE) | 2011-01-20 | — | — | WO | disclosed |