⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28855479 | 0.78 | — | — | |
| SCHEMBL499133 | 0.78 | — | — | |
| SCHEMBL920498 | 0.75 | GAA (0.50) | — | |
| SCHEMBL269528 | 0.75 | — | — | |
| 2-Thiophenenecarboxaldehyde SCHEMBL28578457 | 0.74 | HCAR2 (0.47) | — | |
| SCHEMBL6570898 | 0.74 | ALDH1A1 (0.54) | — | |
| SCHEMBL10885020 | 0.74 | LMNA (0.50) | — | |
| SCHEMBL918956 | 0.74 | GAA (0.49) | — | |
| SCHEMBL559558 | 0.73 | SMN1; SMN2 (0.59) | — | |
| SCHEMBL7803618 | 0.73 | — | — |
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-7531545-B2 | 2-amino-3,4-dihydro-pyrido[3,4-d]pyrimidine derivatives useful as inhibitors of β-secretase (BACE) | JANSSEN PHARMACEUTICA, N.V. (BE) | 2009-05-12 | — | — | US | disclosed |
| US-20070259898-A1 | NOVEL 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) | BAXTER ELLEN E | 2007-11-08 | — | — | US | disclosed |