⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22166895 | 0.84 | — | — | |
| SCHEMBL23996178 | 0.82 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL21191260 | 0.81 | ATM (0.39) | — | |
| SCHEMBL21191170 | 0.81 | — | — | |
| SCHEMBL20179872 | 0.76 | SSTR4 (0.33) | — | |
| SCHEMBL20179864 | 0.74 | CHRM4 (0.33) | — | |
| SCHEMBL20179877 | 0.74 | PTGIR (0.30) | — | |
| SCHEMBL22329086 | 0.68 | KHK (0.32) | — | |
| SCHEMBL12108445 | 0.67 | CHRM4 (0.45) | — | |
| SCHEMBL21146867 | 0.66 | MAPT (0.30) | — |
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-2018090862-A1 | DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2018-05-24 | — | — | WO | disclosed |