⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4861964 | 0.75 | — | — | |
| SCHEMBL874834 | 0.59 | — | — | |
| SCHEMBL166056 | 0.58 | — | — | |
| SCHEMBL17077743 | 0.58 | — | — | |
| SCHEMBL6269826 | 0.55 | — | — | |
| SCHEMBL8036160 | 0.54 | — | — | |
| SCHEMBL17077833 | 0.49 | — | — | |
| SCHEMBL4082715 | 0.48 | — | — | |
| SCHEMBL7107975 | 0.47 | — | — | |
| SCHEMBL1445441 | 0.46 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120323001-A1 | BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2012-12-20 | — | — | US | disclosed |
| US-8278441-B2 | BACE inhibitors | ELI LILLY AND COMPANY (US) | 2012-10-02 | — | — | US | disclosed |
| US-20110009395-A1 | BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2011-01-13 | — | — | US | disclosed |