⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL570834 | 0.79 | BACE1 (0.33) | — | |
| SCHEMBL10285126 | 0.66 | BACE1 (0.37) | — | |
| SCHEMBL10285177 | 0.66 | BACE1 (0.37) | — | |
| SCHEMBL10285131 | 0.66 | BACE1 (0.37) | — | |
| SCHEMBL570684 | 0.63 | BACE1 (0.51) | — | |
| SCHEMBL570770 | 0.63 | BACE1 (0.51) | — | |
| Trifluoroacetic Acid SCHEMBL15063416 | 0.61 | BACE1 (0.36) | — | |
| SCHEMBL12473651 | 0.60 | — | — | |
| SCHEMBL10285488 | 0.58 | BACE1 (0.52) | — | |
| SCHEMBL571267 | 0.57 | BACE1 (0.43) | — |
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-2601197-A1 | AMINO-ISO-INDOLE, AMINO-AZA-ISO-INDOLE, AMINO-DIHYDROISOQUINOLINE AND AMINO-BENZOXAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE | Amgen Inc. (US) | 2013-06-12 | — | — | EP | disclosed |
| WO-2012019056-A1 | AMINO-ISO-INDOLE, AMINO-AZA-ISO-INDOLE, AMINO-DIHYDROISOQUINOLINE AND AMINO-BENZOXAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE | AMGEN INC. (US) | 2012-02-09 | — | — | WO | disclosed |