⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9936384 | 0.72 | KDM4E (0.55) | — | |
| SCHEMBL6744983 | 0.72 | KDM4E (0.42) | — | |
| SCHEMBL6114712 | 0.69 | KDM4E (0.46) | — | |
| SCHEMBL142703 | 0.69 | — | — | |
| SCHEMBL6767920 | 0.69 | KDM4E (0.59) | — | |
| SCHEMBL9597634 | 0.67 | — | — | |
| Bromide SCHEMBL384403 | 0.67 | — | — | |
| SCHEMBL14734589 | 0.67 | — | — | |
| SCHEMBL20175894 | 0.67 | — | — | |
| SCHEMBL13787053 | 0.67 | — | — |
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 |