⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4107658 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL29468154 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL3332206 | 0.73 | ABCB1 (0.40) | — | |
| SCHEMBL4941939 | 0.71 | — | — | |
| SCHEMBL27974524 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL22724975 | 0.68 | — | — | |
| SCHEMBL10752559 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL9392821 | 0.68 | TSHR (0.31) | — | |
| SCHEMBL9642236 | 0.67 | TSHR (0.34) | — | |
| SCHEMBL8501219 | 0.67 | CHRM2 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111919141-A | Silicone hydrogel contact lenses | 爱尔康公司 | 2020-11-10 | — | — | CN | disclosed |
| 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 |
| US-5321108-A | Improving solubility of unsaturated siloxane monomers in hydrophilic monomer | BAUSCH & LOMB INCORPORATED (US) | 1994-06-14 | — | — | US | disclosed |