⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3181122 | 0.79 | — | — | |
| SCHEMBL8863810 | 0.58 | — | — | |
| SCHEMBL28002397 | 0.57 | — | — | |
| SCHEMBL4768800 | 0.57 | — | — | |
| SCHEMBL440477 | 0.53 | — | — | |
| Ammonia Solution, Strong SCHEMBL10981538 | 0.51 | CA1 (0.36) | — | |
| SCHEMBL9549412 | 0.50 | — | — | |
| SCHEMBL26831282 | 0.50 | — | — | |
| SCHEMBL9204747 | 0.50 | — | — | |
| SCHEMBL1982750 | 0.48 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102471296-B | Bace inhibitors | LILLY CO ELI | 2014-11-12 | — | — | CN | disclosed |
| CN-102471296-A | Bace inhibitors | LILLY CO ELI | 2012-05-23 | — | — | CN | disclosed |