⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8320206 | 0.79 | TSHR (0.39) | — | |
| SCHEMBL7771266 | 0.77 | LPAR6 (0.31) | — | |
| SCHEMBL3673667 | 0.75 | TSHR (0.50) | — | |
| SCHEMBL6699782 | 0.73 | — | — | |
| SCHEMBL7260901 | 0.72 | LPAR1 (0.34) | — | |
| SCHEMBL26927666 | 0.70 | TSHR (0.36) | — | |
| SCHEMBL1326296 | 0.70 | — | — | |
| SCHEMBL7031787 | 0.70 | KDM4E (0.30) | — | |
| SCHEMBL26927657 | 0.69 | USP2 (0.33) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL631146 | 0.68 | TSHR (0.53) | — |
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-1890171-B1 | Wettable hydrogels comprising reactive, hydrophilic, polymeric internal wetting agents | JOHNSON & JOHNSON VISION CARE (US) | 2010-12-22 | — | — | EP | claimed |
| EP-1890171-A2 | Wettable hydrogels comprising reactive, hydrophilic, polymeric internal wetting agents | Johnson & Johnson Vision Care, Inc. (US) | 2008-02-20 | — | — | EP | claimed |