⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7585308 | 0.78 | TSHR (0.46) | — | |
| SCHEMBL565537 | 0.73 | CES1 (0.34) | — | |
| SCHEMBL12775038 | 0.72 | CES1 (0.31) | — | |
| SCHEMBL5574035 | 0.71 | CES1 (0.33) | — | |
| SCHEMBL465121 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL7943777 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL22042692 | 0.70 | CES1 (0.32) | — | |
| SCHEMBL12799141 | 0.70 | CES1 (0.32) | — | |
| SCHEMBL8645372 | 0.69 | — | — | |
| SCHEMBL20942828 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8877829-B2 | Process for making cationic hydrophilic siloxanyl monomers | BAUSCH & LOMB INCORPORATED (US) | 2014-11-04 | — | — | US | claimed |
| EP-2287169-A1 | Process for making cationic hydrophilic siloxanyl monomers | BAUSCH & LOMB INCORPORATED (US) | 2011-02-23 | — | — | EP | claimed |
| US-20110015298-A1 | PROCESS FOR MAKING CATIONIC HYDROPHILIC SILOXANYL MONOMERS | SANTARUS, INC. | 2011-01-20 | — | — | US | claimed |
| US-7825273-B2 | dissolving hydride containing siloxane compound in solvent, treating with allylic halide and hydrosilation catalyst, heating under nitrogen atmosphere for quantitative loss of reactants, cooling, concentrating, treating with tertiary amino-vinyl compound, heating; for biocompatible ophthalmic devices | BAUSCH & LOMB INCORPORATED (US) | 2010-11-02 | — | — | US | claimed |