⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21325539 | 0.75 | GRN (0.32) | — | |
| SCHEMBL30600692 | 0.71 | OGA (0.34) | — | |
| SCHEMBL31546684 | 0.70 | CYP2C19 (0.39) | — | |
| SCHEMBL31546704 | 0.70 | CYP2C19 (0.39) | — | |
| SCHEMBL20165962 | 0.69 | NPC1 (0.30) | — | |
| SCHEMBL1767744 | 0.69 | AAK1 (0.31) | — | |
| SCHEMBL18501678 | 0.67 | — | — | |
| SCHEMBL1767766 | 0.67 | GRN (0.31) | — | |
| SCHEMBL25025259 | 0.66 | CYP2C19 (0.38) | — | |
| SCHEMBL21350605 | 0.65 | NOS3 (0.34) | — |
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-8822485-B2 | Amino heteroaryl compounds as beta-secretase modulators and methods of use | AMGEN INC. (US) | 2014-09-02 | — | — | US | disclosed |
| US-20130018064-A1 | Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use | AMGEN INC. (US) | 2013-01-17 | — | — | US | disclosed |
| EP-2504330-A1 | AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE | Amgen Inc. (US) | 2012-10-03 | — | — | EP | disclosed |
| WO-2011063272-A1 | AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE | AMGEN INC. (US) | 2011-05-26 | — | — | WO | disclosed |