⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5476313 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL2232006 | 0.74 | — | — | |
| SCHEMBL2233774 | 0.72 | — | — | |
| SCHEMBL5479063 | 0.69 | — | — | |
| SCHEMBL18359244 | 0.63 | TSHR (0.35) | — | |
| SCHEMBL476064 | 0.63 | TSHR (0.35) | — | |
| SCHEMBL27920787 | 0.62 | ALDH1A1 (0.30) | — | |
| SCHEMBL6698494 | 0.61 | TSHR (0.33) | — | |
| SCHEMBL476015 | 0.61 | ALDH1A1 (0.41) | — | |
| SCHEMBL131295 | 0.61 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070266896-A1 | Siloxane-Based Coating Material, Optical Article, and Production Method of Siloxane-Based Coating Material | TORAY INDUSTRIES, INC. (JP) | 2007-11-22 | — | — | US | disclosed |
| EP-1760126-A1 | SILOXANE COATING MATERIAL, OPTICAL ARTICLES AND PROCESS FOR THE PRODUCTION OF SILOXANE COATING MATERIALS | TORAY INDUSTRIES, INC. (JP) | 2007-03-07 | — | — | EP | disclosed |