⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2411834 | 0.83 | — | — | |
| SCHEMBL4918129 | 0.82 | — | — | |
| SCHEMBL4917500 | 0.78 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL8861053 | 0.78 | — | — | |
| SCHEMBL2419675 | 0.77 | — | — | |
| SCHEMBL4924587 | 0.76 | — | — | |
| SCHEMBL3127463 | 0.73 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL7217104 | 0.72 | GBA1 (0.36) | — | |
| SCHEMBL27536365 | 0.69 | EPHX2 (0.41) | — | |
| SCHEMBL8860869 | 0.68 | EPHX2 (0.38) | — |
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-2000023444-A1 | 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS | ABBOTT LABORATORIES (US) | 2000-04-27 | — | — | WO | disclosed |