⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3748115 | 0.80 | — | — | |
| SCHEMBL3230344 | 0.80 | PARP1 (0.30) | — | |
| SCHEMBL14185122 | 0.78 | PARP1 (0.33) | — | |
| SCHEMBL12284072 | 0.78 | — | — | |
| SCHEMBL3241075 | 0.75 | — | — | |
| SCHEMBL905319 | 0.72 | — | — | |
| SCHEMBL24615982 | 0.71 | — | — | |
| SCHEMBL24615961 | 0.71 | AOC2 (0.32) | — | |
| SCHEMBL13957022 | 0.71 | — | — | |
| SCHEMBL21095477 | 0.70 | AOC2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7745438-B2 | 3-(2-acylamino-1-hydroxyethyl)-morpholine derivatives and their use as bace inhibitors | ELI LILLY AND COMPANY (US) | 2010-06-29 | — | — | US | disclosed |
| US-20070225267-A1 | 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors | ELI LILLY AND COMPANY | 2007-09-27 | — | — | US | disclosed |