⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25787512 | 0.89 | — | — | |
| SCHEMBL25787514 | 0.83 | — | — | |
| SCHEMBL25787455 | 0.80 | BBOX1 (0.33) | — | |
| SCHEMBL25787383 | 0.76 | — | — | |
| SCHEMBL25787519 | 0.72 | EPHX1 (0.49) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL29251605 | 0.72 | KCNH2 (0.33) | — | |
| SCHEMBL25787515 | 0.71 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL29252585 | 0.70 | KCNH2 (0.33) | — | |
| SCHEMBL25787158 | 0.69 | — | — | |
| SCHEMBL25788086 | 0.69 | CA1 (0.30) | — |
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-20230216086-A1 | ELECTROLYTES FOR TARGET ION TRANSPORT | MONASH UNIVERSITY (AU) | 2023-07-06 | — | — | US | disclosed |