⚠ 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 | |
|---|---|---|---|---|
| Butyric Acid SCHEMBL1330379 | 0.96 | — | — | |
| Butyric Acid SCHEMBL320515 | 0.96 | FFAR3 (1.00) | — | |
| Butyric Acid SCHEMBL4446516 | 0.96 | FFAR3 (1.00) | — | |
| Butyric Acid SCHEMBL991717 | 0.96 | FFAR3 (1.00) | — | |
| Butyric Acid SCHEMBL339305 | 0.96 | FFAR3 (1.00) | — | |
| Butyric Acid SCHEMBL5703921 | 0.96 | FFAR3 (1.00) | — | |
| Butyric Acid SCHEMBL8458708 | 0.96 | FFAR3 (1.00) | — | |
| Butyric Acid SCHEMBL8457839 | 0.96 | FFAR3 (1.00) | — | |
| Butyric Acid SCHEMBL20678495 | 0.96 | — | — | |
| Butyric Acid SCHEMBL1332215 | 0.96 | — | — |
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 4 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 |
| 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 |
| 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 |
| 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 |