⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27270304 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL5944585 | 0.73 | TSHR (0.32) | — | |
| Hydrochloric Acid SCHEMBL28153931 | 0.73 | PLA2G1B (0.31) | — | |
| SCHEMBL5944545 | 0.72 | — | — | |
| SCHEMBL18395249 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL1831177 | 0.72 | — | — | |
| SCHEMBL4788386 | 0.71 | MEN1 (0.39) | — | |
| Bromide SCHEMBL7707915 | 0.69 | — | — | |
| Bromide SCHEMBL11648331 | 0.69 | — | — | |
| SCHEMBL5944665 | 0.69 | TSHR (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060186419-A1 | Light-emitting device | KABUSHIKI KAISHA TOSHIBA (JP) | 2006-08-24 | — | — | US | disclosed |