⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8524508 | 0.83 | — | — | |
| SCHEMBL17336797 | 0.81 | — | — | |
| SCHEMBL29412238 | 0.80 | — | — | |
| SCHEMBL29412235 | 0.80 | — | — | |
| SCHEMBL8930843 | 0.79 | — | — | |
| SCHEMBL6028017 | 0.79 | — | — | |
| Iodide SCHEMBL31622120 | 0.79 | — | — | |
| SCHEMBL8759360 | 0.78 | — | — | |
| SCHEMBL11394545 | 0.76 | — | — | |
| SCHEMBL8053132 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103153062-B | Heterocyclic compounds and their use | INTELLIKINE INC | 2015-07-15 | — | — | CN | disclosed |