⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14656829 | 0.78 | — | — | |
| SCHEMBL6986152 | 0.75 | — | — | |
| SCHEMBL17255906 | 0.73 | — | — | |
| SCHEMBL16267291 | 0.71 | — | — | |
| SCHEMBL15403451 | 0.71 | — | — | |
| SCHEMBL15402485 | 0.69 | — | — | |
| SCHEMBL1240685 | 0.67 | — | — | |
| SCHEMBL727839 | 0.67 | — | — | |
| Bicarbonate SCHEMBL20598987 | 0.66 | — | — | |
| SCHEMBL561207 | 0.66 | TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4822426-A | BLEND OF ORGANOMETALLIC COMPOUNDS RESIN AND FLUORINE COMPOUND | TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) | 1989-04-18 | — | — | US | disclosed |