⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11201090 | 0.66 | — | — | |
| SCHEMBL27419992 | 0.63 | — | — | |
| SCHEMBL22626465 | 0.61 | — | — | |
| SCHEMBL27768111 | 0.59 | — | — | |
| SCHEMBL6478504 | 0.57 | — | — | |
| SCHEMBL27485360 | 0.56 | PTPN1 (0.32) | — | |
| SCHEMBL15255993 | 0.55 | — | — | |
| SCHEMBL15478777 | 0.55 | — | — | |
| SCHEMBL878822 | 0.54 | — | — | |
| SCHEMBL27494511 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2986618-B1 | ORGANIC ANION LITHIUM IONIC COCRYSTAL COMPOUNDS AND COMPOSITIONS | UNIV SOUTH FLORIDA (US) | 2021-12-01 | — | — | EP | disclosed |