⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1226463 | 0.84 | NAMPT (0.43) | — | |
| SCHEMBL28061960 | 0.73 | — | — | |
| SCHEMBL18281302 | 0.72 | — | — | |
| SCHEMBL28323379 | 0.72 | — | — | |
| SCHEMBL27674320 | 0.68 | — | — | |
| SCHEMBL27860620 | 0.68 | PKM (0.35) | — | |
| SCHEMBL933257 | 0.67 | — | — | |
| SCHEMBL6199267 | 0.67 | — | — | |
| SCHEMBL4436164 | 0.65 | — | — | |
| SCHEMBL932027 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1021185-A4 | DIDHYDROPYRIMIDINES AND USES THEREOF | SYNAPTIC PHARMA CORP (US) | 2005-09-07 | — | — | EP | disclosed |
| EP-1021185-A1 | DIDHYDROPYRIMIDINES AND USES THEREOF | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 2000-07-26 | — | — | EP | disclosed |
| WO-1997042956-A1 | DIDHYDROPYRIMIDINES AND USES THEREOF | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 1997-11-20 | — | — | WO | disclosed |