⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL9177293 | 1.00 | — | — | |
| Hydrogen Sulfide SCHEMBL9177289 | 0.97 | — | — | |
| SCHEMBL1834011 | 0.81 | — | — | |
| Fluoride Ion SCHEMBL31683108 | 0.78 | — | — | |
| Bromide SCHEMBL31683081 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28686705 | 0.78 | KDM4E (0.35) | — | |
| Iodide SCHEMBL31683076 | 0.78 | — | — | |
| Water SCHEMBL31683015 | 0.78 | — | — | |
| SCHEMBL12790570 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL1833627 | 0.71 | SLC22A1 (0.35) | — |
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 |