⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5789839 | 0.93 | — | — | |
| SCHEMBL22490 | 0.93 | — | — | |
| SCHEMBL5944923 | 0.93 | TSHR (1.00) | — | |
| SCHEMBL6015190 | 0.93 | TSHR (1.00) | — | |
| SCHEMBL1707290 | 0.93 | — | — | |
| SCHEMBL30274585 | 0.86 | — | — | |
| Water SCHEMBL1896737 | 0.86 | — | — | |
| SCHEMBL28396307 | 0.86 | — | — | |
| Water SCHEMBL4417833 | 0.86 | TSHR (0.86) | — | |
| Lithium SCHEMBL38658024 | 0.86 | — | — |
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-20080138690-A1 | Fuel Cells Containing a Fuel Soluble in Aqueous Medium and Having a Boiling Point Higher Than 65'C | ARKEMA FRANCE (FR) | 2008-06-12 | — | — | US | disclosed |