⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8443088 | 0.64 | KCNN4 (0.32) | — | |
| SCHEMBL620794 | 0.63 | — | — | |
| SCHEMBL4724714 | 0.58 | — | — | |
| SCHEMBL4932940 | 0.57 | — | — | |
| SCHEMBL5821772 | 0.57 | — | — | |
| SCHEMBL794478 | 0.57 | — | — | |
| SCHEMBL5269786 | 0.55 | — | — | |
| SCHEMBL4933560 | 0.53 | — | — | |
| SCHEMBL14697633 | 0.49 | — | — | |
| SCHEMBL12203116 | 0.41 | HRH4 (0.33) | — |
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-1966198-A1 | 2-AMINO-3,4-DIHYDRO-PYRIDOÝ3,4-D¨PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007050612-A1 | 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-03 | — | — | WO | disclosed |