⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1064167 | 0.76 | — | — | |
| SCHEMBL1614329 | 0.74 | EPHX1 (0.32) | — | |
| SCHEMBL18706685 | 0.73 | EPHX1 (0.31) | — | |
| SCHEMBL7225783 | 0.70 | EPHX1 (0.37) | — | |
| SCHEMBL4740510 | 0.70 | EPHX1 (0.37) | — | |
| SCHEMBL14780078 | 0.68 | CA1 (0.31) | — | |
| SCHEMBL3707673 | 0.68 | CA1 (0.31) | — | |
| SCHEMBL7417011 | 0.66 | CA1 (0.30) | — | |
| SCHEMBL20358186 | 0.65 | — | — | |
| SCHEMBL4132627 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2091928-A2 | 3-(2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2009-08-26 | — | — | EP | disclosed |
| WO-2006034093-A2 | 3- (2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS | ELLI LILLY AND COMPANY (US) | 2006-03-30 | — | — | WO | disclosed |