⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12599938 | 0.87 | — | — | |
| SCHEMBL16104682 | 0.87 | BACE1 (0.31) | — | |
| SCHEMBL12599944 | 0.85 | BACE1 (0.32) | — | |
| SCHEMBL8002607 | 0.82 | RORC (0.36) | — | |
| SCHEMBL12946980 | 0.82 | BACE1 (0.35) | — | |
| SCHEMBL12916852 | 0.82 | BACE1 (0.35) | — | |
| SCHEMBL12946978 | 0.81 | BACE1 (0.33) | — | |
| SCHEMBL12649761 | 0.81 | GRM5 (0.33) | — | |
| SCHEMBL12946975 | 0.81 | BACE1 (0.43) | — | |
| SCHEMBL12916851 | 0.81 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009131974-A1 | THIOPHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | SCHERING CORPORATION (US) | 2009-10-29 | — | — | WO | disclosed |