⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL525364 | 0.85 | HCAR2 (0.38) | — | |
| SCHEMBL1155539 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL2183228 | 0.80 | THRB (0.37) | — | |
| SCHEMBL28359357 | 0.71 | HCAR2 (0.38) | — | |
| SCHEMBL4918084 | 0.70 | PTGS1 (0.30) | — | |
| SCHEMBL27924395 | 0.70 | HCAR2 (0.33) | — | |
| SCHEMBL4205109 | 0.67 | THRB (0.32) | — | |
| SCHEMBL28557645 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL146699 | 0.67 | HCAR2 (0.36) | — | |
| SCHEMBL30018944 | 0.67 | HCAR2 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0231572-B1 | Silicone-sulfone and silicone-fluorocarbon-sulfone gas permeable contact lenses and compositions thereof | PROGRESSIVE OPTICAL RES LTD (CA) | 1994-11-02 | — | — | EP | disclosed |
| US-4748224-A | Silicone-sulfone and silicone-fluorocarbon-sulfone gas permeable contact lenses and compositions thereof | Devou, Maureen J. (CA) | 1988-05-31 | — | — | US | disclosed |
| EP-0231572-A2 | Silicone-sulfone and silicone-fluorocarbon-sulfone gas permeable contact lenses and compositions thereof | PROGRESSIVE OPTICAL RESEARCH LTD. (CA) | 1987-08-12 | — | — | EP | disclosed |