⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14879731 | 1.00 | — | — | |
| SCHEMBL8593546 | 0.97 | — | — | |
| SCHEMBL29219082 | 0.92 | — | — | |
| SCHEMBL2048921 | 0.92 | — | — | |
| SCHEMBL8442315 | 0.90 | — | — | |
| SCHEMBL45437 | 0.90 | — | — | |
| SCHEMBL1221386 | 0.89 | — | — | |
| SCHEMBL45231 | 0.87 | — | — | |
| SCHEMBL461234 | 0.83 | — | — | |
| SCHEMBL29176887 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009085642-A1 | TRIMETHYLSILYL-CAPPED POLYSILOXANE MACROMONOMERS CONTAINING POLAR FLUORINATED SIDE-CHAINS | BAUSCH & LOMB INCORPORATED (US) | 2009-07-09 | — | — | WO | disclosed |
| US-20090168013-A1 | Trimethylsilyl-Capped Polysiloxane Macromonomers Containing Polar Fluorinated Side-Chains | BAUSCH & LOMB INCORPORATED | 2009-07-02 | — | — | US | disclosed |