⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL775624 | 0.51 | — | — | |
| SCHEMBL2101403 | 0.47 | — | — | |
| SCHEMBL260589 | 0.46 | — | — | |
| Ammonia Solution, Strong SCHEMBL1500396 | 0.38 | — | — | |
| Ammonia Solution, Strong SCHEMBL6782155 | 0.35 | — | — | |
| Ammonia Solution, Strong SCHEMBL9448740 | 0.35 | — | — | |
| SCHEMBL77862 | 0.35 | — | — | |
| Iodide SCHEMBL31598308 | 0.32 | — | — | |
| Ammonia Solution, Strong SCHEMBL21989874 | 0.32 | — | — | |
| SCHEMBL102954 | 0.31 | — | — |
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-11241398-B2 | Affinity medicant conjugate | AF CHEMICALS, LLC (US) | 2022-02-08 | — | — | US | disclosed |