⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21166520 | 0.69 | — | — | |
| SCHEMBL20121419 | 0.66 | TDP1 (0.34) | — | |
| SCHEMBL19646921 | 0.62 | — | — | |
| SCHEMBL23600526 | 0.60 | — | — | |
| SCHEMBL29080872 | 0.59 | — | — | |
| SCHEMBL23892768 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL28614619 | 0.58 | — | — | |
| SCHEMBL23518908 | 0.57 | — | — | |
| SCHEMBL23601272 | 0.56 | — | — | |
| SCHEMBL22571976 | 0.56 | — | — |
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-2018011164-A1 | FUSED PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2018-01-18 | — | — | WO | disclosed |