⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25787379 | 0.81 | — | — | |
| SCHEMBL15465474 | 0.69 | LMNA (0.33) | — | |
| SCHEMBL25787380 | 0.67 | EPHX1 (0.43) | — | |
| SCHEMBL2568445 | 0.66 | — | — | |
| SCHEMBL25787028 | 0.66 | — | — | |
| SCHEMBL25787455 | 0.66 | BBOX1 (0.33) | — | |
| SCHEMBL28254281 | 0.65 | EPHX1 (0.34) | — | |
| SCHEMBL15226205 | 0.65 | CETP (0.38) | — | |
| SCHEMBL25787512 | 0.64 | — | — | |
| SCHEMBL25787033 | 0.64 | — | — |
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 |